Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2C9 | P11712 | 4/20 | 0.47 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.47 |
| ▸ | LMNA | P02545 | 3/20 | 0.45 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.45 |
| ▸ | QPCT | Q16769 | 1/20 | 0.41 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.39 |
| ▸ | IDO1 | P14902 | 1/20 | 0.39 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.39 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.39 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.37 |
| ▸ | MAPT | P10636 | 1/20 | 0.36 |
| ▸ | CA12 | O43570 | 1/20 | 0.35 |
| ▸ | CA1 | P00915 | 1/20 | 0.35 |
| ▸ | CA2 | P00918 | 1/20 | 0.35 |
| ▸ | CA4 | P22748 | 1/20 | 0.35 |
| ▸ | CA6 | P23280 | 1/20 | 0.35 |
| ▸ | CA5A | P35218 | 1/20 | 0.35 |
| ▸ | CA7 | P43166 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL7804884 | 0.98 | CYP2C9 (0.45) | CYP2C9CYP1A2LMNARXFP1QPCT | |
| Hydrochloric Acid SCHEMBL7917783 | 0.98 | CYP2C9 (0.45) | CYP2C9CYP1A2LMNARXFP1QPCT | |
| SCHEMBL5779670 | 0.77 | MAPT (0.66) | CYP2C9CYP1A2LMNACYP2D6CYP3A4 | |
| Hydrochloric Acid SCHEMBL8651431 | 0.75 | MAPT (0.63) | CYP2C9CYP1A2LMNACYP2D6CYP3A4 | |
| SCHEMBL1352015 | 0.73 | MAPT (0.56) | CYP2C9CYP1A2LMNARXFP1QPCT | |
| Hydrochloric Acid SCHEMBL3867813 | 0.73 | AOC2 (0.50) | CYP2C9CYP1A2LMNACYP2D6CYP3A4 | |
| SCHEMBL22478364 | 0.72 | LMNA (0.45) | CYP2C9CYP1A2LMNARXFP1QPCT | |
| SCHEMBL218054 | 0.71 | TDP1 (0.67) | CYP2C9CYP1A2LMNACYP2D6CYP3A4 | |
| SCHEMBL21923049 | 0.69 | CYP1A2 (0.52) | CYP2C9CYP1A2LMNARXFP1QPCT | |
| SCHEMBL1186988 | 0.69 | ENPP2 (0.56) | CYP2C9CYP1A2LMNARXFP1QPCT |
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 68 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0630374-B1 | IMIDAZOLE, TRIAZOLE AND TETRAZOLE DERIVATIVES | MERCK SHARP & DOHME (GB) | 2001-09-05 | — | — | EP | disclosed |
| EP-0741722-B1 | TRIAZOLE DERIVATIVES | MERCK SHARP & DOHME (GB) | 2001-06-13 | — | — | EP | disclosed |
| US-6150391-A | Diazabicyclo-octane derivatives as 5-HT receptor ligands | MERCK SHARP & DOHME LTD. | 2000-11-21 | — | — | US | disclosed |
| US-6140347-A | Azetidine, pyrrolidine and piperidine derivatives as 5-HT receptor agonists | MERCK SHARP & DOHME LTD. (GB) | 2000-10-31 | — | — | US | disclosed |
| US-6107321-A | Diazabicyclooctane derivatives having selective 5-HT1Dalpha agonist activity | MERCK SHARP & DOHME LTD. (GB) | 2000-08-22 | — | — | US | disclosed |
| US-6054456-A | Substituted piperazine derivatives | MERCK SHARP & DOHME LTD. (GB) | 2000-04-25 | — | — | US | disclosed |
| US-6054469-A | Substituted tetrahydropyridine derivatives acting on 5-HT receptors | MERCK SHARP & DOHME LTD. (GB) | 2000-04-25 | — | — | US | disclosed |
| US-6051572-A | Azetidine, pyrrolidine and piperidine derivatives | MERCK SHARP & DOHME LTD. (GB) | 2000-04-18 | — | — | US | disclosed |
| US-6051591-A | Diazabicyclooctane derivatives | MERCK SHARP & DOHME LTD. (GB) | 2000-04-18 | — | — | US | disclosed |
| US-6048878-A | Substituted piperidine derivatives as selective agonists of 5-HT receptors | MERCK SHARP & DOHME LTD. (GB) | 2000-04-11 | — | — | US | disclosed |
| WO-1995032196-A1 | PIPERAZINE, PIPERIDINE AND TETRAHYDROPYRIDINE DERIVATIVES OF INDOL-3-YLALKYL AS 5-HT1D-ALPHA AGONISTS | MERCK SHARP & DOHME LIMITED (GB) | 1995-11-30 | — | — | WO | disclosed |
| WO-1995021166-A1 | TRIAZOLE DERIVATIVES | MERCK SHARP & DOHME LIMITED (GB) | 1995-08-10 | — | — | WO | disclosed |
| WO-1995021167-A1 | TRIAZOLE DERIVATIVES | MERCK SHARP & DOHME LIMITED (GB) | 1995-08-10 | — | — | WO | disclosed |
| EP-0651749-A1 | IMIDAZOLE, TRIAZOLE AND TETRAZOLE DERIVATIVES | MERCK SHARP & DOHME LTD. (GB) | 1995-05-10 | — | — | EP | disclosed |
| EP-0630374-A1 | IMIDAZOLE, TRIAZOLE AND TETRAZOLE DERIVATIVES | MERCK SHARP & DOHME LTD. (GB) | 1994-12-28 | — | — | EP | disclosed |
| CN-1089262-A | 1,2 of 4-replacement, the 4-triazole derivative | MERCK SHARP & DOHME (GB) | 1994-07-13 | — | — | CN | disclosed |
| WO-1994003446-A1 | 4-SUBSTITUTED 1,2,4-TRIAZOLE DERIVATIVES | MERCK SHARP & DOHME LIMITED (GB) | 1994-02-17 | — | — | WO | disclosed |
| WO-1994002477-A1 | IMIDAZOLE, TRIAZOLE AND TETRAZOLE DERIVATIVES | MERCK SHARP & DOHME LIMITED (GB) | 1994-02-03 | — | — | WO | disclosed |
| EP-0581538-A1 | 4-Substituted 1,2,4-triazole derivatives | MERCK SHARP & DOHME LTD. (GB) | 1994-02-02 | — | — | EP | disclosed |
| WO-1993018029-A1 | IMIDAZOLE, TRIAZOLE AND TETRAZOLE DERIVATIVES | MERCK SHARP & DOHME LIMITED (GB) | 1993-09-16 | — | — | WO | disclosed |