Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 7/20 | 0.47 |
| ▸ | HPGD | P15428 | 6/20 | 0.47 |
| ▸ | KDM4E | B2RXH2 | 5/20 | 0.47 |
| ▸ | CA2 | P00918 | 5/20 | 0.47 |
| ▸ | HSD17B10 | Q99714 | 4/20 | 0.47 |
| ▸ | MAPT | P10636 | 3/20 | 0.47 |
| ▸ | CA4 | P22748 | 3/20 | 0.47 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.47 |
| ▸ | ALOX15 | P16050 | 3/20 | 0.47 |
| ▸ | CA12 | O43570 | 3/20 | 0.47 |
| ▸ | CA14 | Q9ULX7 | 3/20 | 0.47 |
| ▸ | LMNA | P02545 | 3/20 | 0.47 |
| ▸ | EGFR | P00533 | 2/20 | 0.47 |
| ▸ | FYN | P06241 | 2/20 | 0.47 |
| ▸ | MMP9 | P14780 | 2/20 | 0.47 |
| ▸ | RECQL | P46063 | 2/20 | 0.47 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.47 |
| ▸ | NPC1 | O15118 | 2/20 | 0.47 |
| ▸ | GMNN | O75496 | 1/20 | 0.47 |
| ▸ | POLB | P06746 | 1/20 | 0.47 |
Click a target to see other patent compounds predicted against it — the reverse direction, in place.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL1496295 | 0.83 | ALDH1A1 (0.47) | ALDH1A1HPGDKDM4ECA2HSD17B10 | |
| SCHEMBL28886062 | 0.80 | ALDH1A1 (0.44) | ALDH1A1HPGDKDM4ECA2HSD17B10 | |
| SCHEMBL9661362 | 0.79 | ALDH1A1 (0.43) | ALDH1A1HPGDKDM4ECA2HSD17B10 | |
| SCHEMBL6705528 | 0.78 | ALDH1A1 (0.47) | ALDH1A1HPGDKDM4ECA2HSD17B10 | |
| SCHEMBL3070052 | 0.77 | ALDH1A1 (0.53) | ALDH1A1HPGDKDM4ECA2HSD17B10 | |
| SCHEMBL1495377 | 0.75 | DBH (0.41) | ALDH1A1HPGDKDM4ECA2HSD17B10 | |
| SCHEMBL29445709 | 0.74 | ALDH1A1 (0.50) | ALDH1A1HPGDKDM4ECA2HSD17B10 | |
| SCHEMBL8465255 | 0.74 | ALDH1A1 (0.50) | ALDH1A1HPGDKDM4ECA2HSD17B10 | |
| SCHEMBL30504752 | 0.72 | ALDH1A1 (0.47) | ALDH1A1HPGDKDM4ECA2HSD17B10 | |
| SCHEMBL5596220 | 0.72 | ALDH1A1 (0.47) | ALDH1A1HPGDKDM4ECA2HSD17B10 |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 18 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20060160068-A1 | Fluorescent phosphophenol ligand analog of a reporter moleculeof a borapolyazaindacene, a coumarin, a xanthene, a cyanine, a fluorescent protein, or a phosphorescent dye covalently bonded through a linker | MOLECULAR PROBES, INC. | 2006-07-20 | — | — | US | claimed |
| WO-2005050206-A2 | COMPETITIVE IMMUNOASSAY | MOLECULAR PROBES, INC. (US) | 2005-06-02 | — | — | WO | claimed |
| US-20220168322-A1 | NOVEL STAT3 INHIBITORS IDENTIFIED BY STRUCTURE-BASED VIRTUAL SCREENING INCORPORATING SH2 DOMAIN FLEXIBILITY | BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) | 2022-06-02 | — | — | US | disclosed |
| WO-2020018944-A1 | NOVEL STAT3 INHIBITORS IDENTIFIED BY STRUCTURE-BASED VIRTUAL SCREENING INCORPORATING SH2 DOMAIN FLEXIBILITY | BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) | 2020-01-23 | — | — | WO | disclosed |
| US-8318467-B2 | Inhibitors of GSK-3 and crystal structures of GSK-3β protein and protein complexes | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2012-11-27 | — | — | US | disclosed |
| US-20110129896-A1 | INHIBITORS OF GSK-3 AND CRYSTAL STRUCTURES OF GSK-3Beta PROTEIN AND PROTEIN COMPLEXES | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2011-06-02 | — | — | US | disclosed |
| EP-2295550-A2 | Crystal structures of GSK-3beta protein and protein complexes and their use. | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2011-03-16 | — | — | EP | disclosed |
| US-7883881-B2 | Unphosphorylated glycogen synthase kinase-3-g-beta (GSK) from baculovirus overexpression system; competitive binding; diabetes, Alzheimer's disease | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2011-02-08 | — | — | US | disclosed |
| US-20100227814-A1 | INHIBITORS OF GSK-3 AND CRYSTAL STRUCTURES OF GSK-3BETA PROTEIN AND PROTEIN COMPLEXES | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2010-09-09 | — | — | US | disclosed |
| US-7666647-B2 | Inhibitors of GSK-3 and crystal structures of GSK-3β protein and protein complexes | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2010-02-23 | — | — | US | disclosed |
| EP-2082743-A2 | Inhibitors of GSK-3 and crystal structures of GSK-3beta protein and protein complexes | Vertex Pharmaceuticals Incorporated (US) | 2009-07-29 | — | — | EP | disclosed |
| EP-1435957-B1 | INHIBITORS OF GSK-3 AND CRYSTAL STRUCTURES OF GSK-3BETA PROTEIN AND PROTEIN COMPLEXES | VERTEX PHARMA (US) | 2009-06-17 | — | — | EP | disclosed |
| US-20080262205-A1 | Inhibitors of GSK-3 and crystal structures of GSK-3beta protein and protein complexes | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2008-10-23 | — | — | US | disclosed |
| US-7390808-B2 | Inhibitors of GSK-3 and crystal structures of GSK-3β protein and protein complexes | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2008-06-24 | — | — | US | disclosed |
| EP-1435957-A4 | INHIBITORS OF GSK-3 AND CRYSTAL STRUCTURES OF GSK-3BETA PROTEIN AND PROTEIN COMPLEXES | VERTEX PHARMA (US) | 2005-04-13 | — | — | EP | disclosed |
| EP-1435957-A2 | INHIBITORS OF GSK-3 AND CRYSTAL STRUCTURES OF GSK-3BETA PROTEIN AND PROTEIN COMPLEXES | Vertex Pharmaceuticals Incorporated (US) | 2004-07-14 | — | — | EP | disclosed |
| US-20030125332-A1 | Inhibitors of GSK-3 and crystal structures of GSK-3 protein and protein complexes | VERTEX PHARMACEUTICALS INCORPORATED | 2003-07-03 | — | — | US | disclosed |
| WO-2002088078-A2 | INHIBITORS OF GSK-3 AND CRYSTAL STRUCTURES OF GSK-3β PROTEIN AND PROTEIN COMPLEXES | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2002-11-07 | — | — | WO | disclosed |
Patent text — is the patent's own abstract consistent with the prediction?
For each of this compound's patents that has machine-readable text (5 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.
| Patent | Title | Text reads most about | Predicted target · text-rank |
|---|---|---|---|
| US-20100227814-A1 | INHIBITORS OF GSK-3 AND CRYSTAL STRUCTURES OF GSK-3BETA PROTEIN AND PROTEIN COMPLEXES | GSK3B, GSK3A, GSKIP | ALDH1A1 4748/4885HPGD 3307/4885KDM4E 1899/4885 |
| US-20060160068-A1 | Fluorescent phosphophenol ligand analog of a reporter moleculeof a borapolyazaindacene, a coumarin, a xanthene, a cyanine, a fluorescent protein, or a phosphorescent dye covalently bonded through a linker | BRPF1, YIPF5, CHAMP1 | ALDH1A1 4580/4885HPGD 3702/4885KDM4E 3995/4885 |
| US-20220168322-A1 | NOVEL STAT3 INHIBITORS IDENTIFIED BY STRUCTURE-BASED VIRTUAL SCREENING INCORPORATING SH2 DOMAIN FLEXIBILITY | JAK2, STAT3, STAT5B | ALDH1A1 3826/4885HPGD 4109/4885KDM4E 1057/4885 |
| US-20030125332-A1 | Inhibitors of GSK-3 and crystal structures of GSK-3 protein and protein complexes | GSK3B, GSK3A, GSKIP | ALDH1A1 4801/4885HPGD 3561/4885KDM4E 1890/4885 |
| US-20080262205-A1 | Inhibitors of GSK-3 and crystal structures of GSK-3beta protein and protein complexes | GSK3B, GSK3A, GSKIP | ALDH1A1 4748/4885HPGD 3307/4885KDM4E 1899/4885 |
“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.