Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.55 |
| ▸ | CES2 | O00748 | 1/20 | 0.53 |
| ▸ | CES1 | P23141 | 1/20 | 0.53 |
| ▸ | CTNNB1 | P35222 | 4/20 | 0.53 |
| ▸ | WNT3A | P56704 | 3/20 | 0.53 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.52 |
| ▸ | LMNA | P02545 | 1/20 | 0.52 |
| ▸ | NAPRT | Q6XQN6 | 1/20 | 0.52 |
| ▸ | P4HTM | Q9NXG6 | 1/20 | 0.52 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.50 |
| ▸ | GSK3B | P49841 | 1/20 | 0.50 |
| ▸ | HTT | P42858 | 1/20 | 0.50 |
| ▸ | GRM4 | Q14833 | 1/20 | 0.49 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.47 |
| ▸ | GRM2 | Q14416 | 1/20 | 0.44 |
| ▸ | TLR7 | Q9NYK1 | 2/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL29915595 | 1.00 | ALDH1A1 (0.55) | ALDH1A1CES2CES1CTNNB1WNT3A | |
| SCHEMBL9396240 | 0.86 | ALDH1A1 (0.49) | ALDH1A1CES2CES1CTNNB1WNT3A | |
| SCHEMBL11199419 | 0.86 | ALDH1A1 (0.52) | ALDH1A1CES2CES1CTNNB1WNT3A | |
| SCHEMBL14199320 | 0.84 | ALDH1A1 (0.55) | ALDH1A1CES2CES1CTNNB1WNT3A | |
| SCHEMBL14523609 | 0.83 | ALDH1A1 (0.49) | ALDH1A1CES2CES1CTNNB1WNT3A | |
| SCHEMBL14074320 | 0.83 | ALDH1A1 (0.49) | ALDH1A1CES2CES1CTNNB1WNT3A | |
| SCHEMBL20412774 | 0.82 | KDM4E (0.49) | ALDH1A1CES2CES1L3MBTL1LMNA | |
| SCHEMBL23228489 | 0.80 | ALDH1A1 (0.46) | ALDH1A1CES2CES1CTNNB1WNT3A | |
| SCHEMBL8284639 | 0.80 | KDM4E (0.50) | ALDH1A1CES2CES1CTNNB1WNT3A | |
| SCHEMBL29096165 | 0.80 | CES2 (0.52) | ALDH1A1CES2CES1CTNNB1WNT3A |
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 21 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20230348369-A1 | NAMPT MODULATORS | CYTOKINETICS, INC. | 2023-11-02 | — | — | US | disclosed |
| US-20170066758-A1 | SUBSTITUTED AMINOTHIAZOLES AS INHIBITORS OF CANCERS, INCLUDING HEPATOCELLULAR CARCINOMA, AND AS INHIBITORS OF HEPATITIS VIRUS REPLICATION | INSTITUTE FOR HEPATITIS AND VIRUS RESEARCH | 2017-03-09 | — | — | US | disclosed |
| US-20170066758-A1 | SUBSTITUTED AMINOTHIAZOLES AS INHIBITORS OF CANCERS, INCLUDING HEPATOCELLULAR CARCINOMA, AND AS INHIBITORS OF HEPATITIS VIRUS REPLICATION | INSTITUTE FOR HEPATITIS AND VIRUS RESEARCH | 2017-03-09 | — | — | US | disclosed |
| US-20140249154-A1 | SUBSTITUTED AMINOTHIAZOLES AS INHIBITORS OF CANCERS, INCLUDING HEPATOCELLULAR CARCINOMA, AND AS INHIBITORS OF HEPATITIS VIRUS REPLICATION | BARUCH S. BLUMBERG INSTITUTE | 2014-09-04 | — | — | US | disclosed |
| US-20140249154-A1 | SUBSTITUTED AMINOTHIAZOLES AS INHIBITORS OF CANCERS, INCLUDING HEPATOCELLULAR CARCINOMA, AND AS INHIBITORS OF HEPATITIS VIRUS REPLICATION | BARUCH S. BLUMBERG INSTITUTE | 2014-09-04 | — | — | US | disclosed |
| US-7601728-B2 | Bicyclic pyrrole derivatives | DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) | 2009-10-13 | — | — | US | disclosed |
| US-20090192129-A1 | BICYCLIC PYRROLE DERIVATIVES | DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) | 2009-07-30 | — | — | US | disclosed |
| US-20090149483-A1 | BICYCLIC PYRROLE DERIVATIVES | DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) | 2009-06-11 | — | — | US | disclosed |
| US-20080318922-A1 | Bicyclic Pyrrole Derivatives | DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) | 2008-12-25 | — | — | US | disclosed |
| US-7423058-B2 | Inhibitors of hepatitis C virus NS3 protease | SCHERING CORPORATION (US) | 2008-09-09 | — | — | US | disclosed |
| US-20070105890-A1 | Novel condensed imidazole derivative | DAINIPPON SUMITOMO PHARMA CO., LTD | 2007-05-10 | — | — | US | disclosed |
| US-7205330-B2 | Inhibitors of hepatitis C virus NS3 protease | SCHERING CORPORATION (US) | 2007-04-17 | — | — | US | disclosed |
| WO-2005003103-A2 | 2, 4, 6-TRI-SUBSTITUTED 6-MEMBERED HETEROCYCLES AND THEIR USE IN THE TREATMENT OF NEURODEGENERATIVE DISEASES | ASTRAZENECA AB (SE) | 2005-01-13 | — | — | WO | disclosed |
| US-20030153571-A1 | Method and composition for the treatment of pain | ASTRAZENECA AB (SE) | 2003-08-14 | — | — | US | disclosed |
| EP-1244453-A1 | METHOD AND COMPOSITION FOR THE TREATMENT OF PAIN | AstraZeneca AB (SE) | 2002-10-02 | — | — | EP | disclosed |
| WO-2001047524-A1 | METHOD AND COMPOSITION FOR THE TREATMENT OF PAIN | ASTRAZENECA AB (SE) | 2001-07-05 | — | — | WO | disclosed |
| US-5393883-A | Ribonucleotide reductase inhibitors | BURROUGHS WELLCOME CO. (US) | 1995-02-28 | — | — | US | disclosed |
| US-5175165-A | Acyclovir and a thiocarbonohydrazone ribonucleotide reductase inhibitor for treatment of herpes virus | BURROUGHS WELLCOME CO. (US) | 1992-12-29 | — | — | US | disclosed |
| EP-0349243-B1 | ANTIVIRAL COMBINATIONS AND COMPOUNDS THEREFOR | THE WELLCOME FOUNDATION LIMITED (GB) | 1992-04-01 | — | — | EP | disclosed |
| EP-0349243-A2 | Antiviral combinations and compounds therefor | THE WELLCOME FOUNDATION LIMITED (GB) | 1990-01-03 | — | — | EP | 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 (8 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-20070105890-A1 | Novel condensed imidazole derivative | DPP4, DPP7, DPP3 | ALDH1A1 63/4885CES2 432/4885CES1 101/4885 |
| US-20230348369-A1 | NAMPT MODULATORS | NAMPT, NNT, NAPRT | ALDH1A1 982/4885CES2 3202/4885CES1 1593/4885 |
| US-20080318922-A1 | Bicyclic Pyrrole Derivatives | DPP4, DPP7, DPP3 | ALDH1A1 62/4885CES2 127/4885CES1 33/4885 |
| US-20090192129-A1 | BICYCLIC PYRROLE DERIVATIVES | DPP4, DPP7, DPP3 | ALDH1A1 22/4885CES2 170/4885CES1 40/4885 |
| US-20090149483-A1 | BICYCLIC PYRROLE DERIVATIVES | DPP4, DPP7, DPP3 | ALDH1A1 22/4885CES2 170/4885CES1 40/4885 |
| US-20140249154-A1 | SUBSTITUTED AMINOTHIAZOLES AS INHIBITORS OF CANCERS, INCLUDING HEPATOCELLULAR CARCINOMA, AND AS INHIBITORS OF HEPATITIS VIRUS REPLICATION | HCCS, BCAT1, AADAT | ALDH1A1 1067/4885CES2 3514/4885CES1 740/4885 |
| US-20170066758-A1 | SUBSTITUTED AMINOTHIAZOLES AS INHIBITORS OF CANCERS, INCLUDING HEPATOCELLULAR CARCINOMA, AND AS INHIBITORS OF HEPATITIS VIRUS REPLICATION | HDGF, HCCS, BCAT1 | ALDH1A1 951/4885CES2 3698/4885CES1 686/4885 |
| US-20030153571-A1 | Method and composition for the treatment of pain | OPRK1, ACHE, OPRL1 | ALDH1A1 164/4885CES2 794/4885CES1 391/4885 |
“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.