Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.37 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.37 |
| ▸ | LMNA | P02545 | 2/20 | 0.36 |
| ▸ | TP53 | P04637 | 1/20 | 0.36 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.34 |
| ▸ | MEN1 | O00255 | 1/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.34 |
| ▸ | NEK2 | P51955 | 1/20 | 0.33 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.32 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.32 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.32 |
| ▸ | TSHR | P16473 | 1/20 | 0.32 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.32 |
| ▸ | MAPT | P10636 | 1/20 | 0.32 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.32 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.32 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.32 |
| ▸ | USP2 | O75604 | 1/20 | 0.32 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.32 |
| ▸ | HPGD | P15428 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL85616 | 0.91 | KMT2A (0.34) | ALDH1A1SMN1; SMN2LMNATP53CYP2D6 | |
| SCHEMBL13331575 | 0.83 | TP53 (0.46) | ALDH1A1SMN1; SMN2LMNATP53MEN1 | |
| SCHEMBL10025974 | 0.77 | TP53 (0.45) | ALDH1A1SMN1; SMN2LMNATP53CYP2D6 | |
| SCHEMBL4778694 | 0.76 | LMNA (0.50) | ALDH1A1SMN1; SMN2LMNATP53CYP2D6 | |
| SCHEMBL20840303 | 0.76 | LMNA (0.50) | ALDH1A1SMN1; SMN2LMNATP53CYP2D6 | |
| SCHEMBL737197 | 0.76 | — | — | |
| SCHEMBL12988565 | 0.71 | — | — | |
| SCHEMBL12989189 | 0.71 | — | — | |
| SCHEMBL3123076 | 0.71 | — | — | |
| SCHEMBL171574 | 0.71 | — | — |
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 8 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-9126982-B2 | Heterocyclic compounds, medicaments containing them, use and processes for the preparation thereof | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2015-09-08 | — | — | US | disclosed |
| US-20150011535-A1 | HETEROCYCLIC COMPOUNDS, MEDICAMENTS CONTAINING THEM, USE AND PROCESSES FOR THE PREPARATION THEREOF | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2015-01-08 | — | — | US | disclosed |
| US-20130065882-A1 | VLA-4 inhibitory drug | MACHINAGA NOBUO (JP) | 2013-03-14 | — | — | US | disclosed |
| US-20120157437-A1 | VLA-4 INHIBITORY DRUG | DAIICHI SANKYO COMPANY, LIMITED (JP) | 2012-06-21 | — | — | US | disclosed |
| US-20120077794-A1 | BIS-PYRIDYLPYRIDONES AS MELANIN-CONCENTRATING HORMONE RECEPTOR 1 ANTAGONISTS | GLAXSMITHKLINE LLC (US) | 2012-03-29 | — | — | US | disclosed |
| US-8129366-B2 | VLA-4 inhibitory drug | DAIICHI SANKYO COMPANY, LIMITED (JP) | 2012-03-06 | — | — | US | disclosed |
| US-20100317658-A1 | 4,7-Dioxobenzothiazole-2-Carboxamide Derivatives, Their Preparation And Their Therapeutic Uses | IPSEN PHARMA S.A.S. (FR) | 2010-12-16 | — | — | US | disclosed |
| US-20090233901-A1 | VLA-4 INHIBITORY DRUG | DAIICHI SANKYO COMPANY, LIMITED (JP) | 2009-09-17 | — | — | US | 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 (6 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-20120157437-A1 | VLA-4 INHIBITORY DRUG | VCAM1, ITGB4, ITGA4 | ALDH1A1 216/4885SMN1; SMN2 4739/4885LMNA 1352/4885 |
| US-20130065882-A1 | VLA-4 inhibitory drug | VCAM1, ITGB4, ITGA4 | ALDH1A1 207/4885SMN1; SMN2 4702/4885LMNA 1493/4885 |
| US-20150011535-A1 | HETEROCYCLIC COMPOUNDS, MEDICAMENTS CONTAINING THEM, USE AND PROCESSES FOR THE PREPARATION THEREOF | SCNN1B, SCNN1A, TRPM5 | ALDH1A1 903/4885SMN1; SMN2 2051/4885LMNA 587/4885 |
| US-20100317658-A1 | 4,7-Dioxobenzothiazole-2-Carboxamide Derivatives, Their Preparation And Their Therapeutic Uses | CDC25C, CDC25A, CDC25B | ALDH1A1 2011/4885SMN1; SMN2 4692/4885LMNA 4164/4885 |
| US-20120077794-A1 | BIS-PYRIDYLPYRIDONES AS MELANIN-CONCENTRATING HORMONE RECEPTOR 1 ANTAGONISTS | MCHR1, MCHR2, MC1R | ALDH1A1 1791/4885SMN1; SMN2 4041/4885LMNA 3893/4885 |
| US-20090233901-A1 | VLA-4 INHIBITORY DRUG | VCAM1, ITGB4, ITGA4 | ALDH1A1 525/4885SMN1; SMN2 4787/4885LMNA 1466/4885 |
“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.