Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.54 |
| ▸ | HSD17B10 | Q99714 | 5/20 | 0.54 |
| ▸ | ALOX12 | P18054 | 3/20 | 0.54 |
| ▸ | L3MBTL1 | Q9Y468 | 3/20 | 0.54 |
| ▸ | TSHR | P16473 | 3/20 | 0.54 |
| ▸ | TDP1 | Q9NUW8 | 3/20 | 0.54 |
| ▸ | ALOX15 | P16050 | 2/20 | 0.54 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.54 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.54 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.54 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.54 |
| ▸ | HTR2B | P41595 | 1/20 | 0.54 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.48 |
| ▸ | CYP3A4 | P08684 | 5/20 | 0.45 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.45 |
| ▸ | CYP2C9 | P11712 | 3/20 | 0.45 |
| ▸ | HTT | P42858 | 3/20 | 0.45 |
| ▸ | MEN1 | O00255 | 2/20 | 0.45 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.45 |
| ▸ | LMNA | P02545 | 2/20 | 0.45 |
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 | |
|---|---|---|---|---|
| SCHEMBL256624 | 0.79 | CYP3A4 (0.52) | ALDH1A1TSHRALOX15CYP3A4CYP1A2 | |
| SCHEMBL28484940 | 0.79 | CYP3A4 (0.71) | ALDH1A1TSHRALOX15CYP3A4HTT | |
| SCHEMBL8647551 | 0.78 | LMNA (0.37) | ALDH1A1HSD17B10L3MBTL1TDP1ALOX15 | |
| SCHEMBL29993530 | 0.77 | CYP3A4 (0.50) | ALDH1A1TSHRALOX15CYP3A4CYP1A2 | |
| SCHEMBL28002115 | 0.76 | CYP1A2 (0.64) | TSHRALOX15CYP3A4CYP1A2CYP2C9 | |
| SCHEMBL8647547 | 0.76 | MEN1 (0.44) | ALDH1A1HSD17B10ALOX12L3MBTL1TSHR | |
| SCHEMBL28308221 | 0.76 | KMT2A (0.59) | ALDH1A1HSD17B10TSHRTDP1ALOX15 | |
| SCHEMBL7798192 | 0.74 | CYP2C9 (0.47) | TDP1PTGS2CYP3A4CYP1A2CYP2C9 | |
| SCHEMBL10246310 | 0.74 | CYP2C9 (0.52) | ALDH1A1HSD17B10TSHRALOX15CYP3A4 | |
| SCHEMBL7896372 | 0.74 | ALDH1A1 (1.00) | ALDH1A1HSD17B10ALOX12L3MBTL1TSHR |
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 16 patents. 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-5919783-A | Indoline and azaindoline derivatives as 5-HT1D alpha receptor agonists | MERCK SHARP & DOHME LTD. (GB) | 1999-07-06 | — | — | US | disclosed |
| US-5902819-A | Triazole derivatives | MERCK SHARP & DOHME LTD. (GB) | 1999-05-11 | — | — | US | disclosed |
| US-5854268-A | Azetidine, pyrrolidine and piperidine derivatives | MERCK SHARP & DOHME, LTD. (GB) | 1998-12-29 | — | — | US | disclosed |
| US-5807857-A | Piperazine, piperidine and tetrahydropyridine derivative of indol-3-alkyl as 5-HT1D-α agonists | MERCK SHARP & DOHME LTD. (GB) | 1998-09-15 | — | — | US | disclosed |
| EP-0804434-A1 | AZETIDINE, PYRROLIDINE AND PIPERIDINE DERIVATIVES | MERCK SHARP & DOHME LTD. (GB) | 1997-11-05 | — | — | EP | disclosed |
| US-5614524-A | Piperazine derivatives as 5-HT1 Agonists | MERCK SHARP & DOHME LTD. (GB) | 1997-03-25 | — | — | US | disclosed |
| US-5567726-A | SELECTIVE AGONISTS OF 5-HYDROXYTRYPTAMINE-LIKE RECEPTORS; USEFUL IN TREATMENT OF MIGRAINE AND ASSOCIATED DISORDERS | MERCK, SHARP & DOHME LTD. (GB) | 1996-10-22 | — | — | US | disclosed |
| US-5552402-A | Five-membered heteroaromatic compounds as 5-HT receptor agonists | MERCK, SHARP & DOHME LTD. (GB) | 1996-09-03 | — | — | US | disclosed |
| US-5510362-A | VASOCONSTRUCTION | MERCK, SHARP AND DOHME LIMITED (GB) | 1996-04-23 | — | — | US | disclosed |
| WO-1996004274-A1 | AZETIDINE, PYRROLIDINE AND PIPERIDINE DERIVATIVES | MERCK SHARP & DOHME LIMITED (GB) | 1996-02-15 | — | — | WO | disclosed |
| WO-1995021166-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 |
| WO-1994002477-A1 | IMIDAZOLE, TRIAZOLE AND TETRAZOLE DERIVATIVES | MERCK SHARP & DOHME LIMITED (GB) | 1994-02-03 | — | — | WO | disclosed |
| WO-1993018029-A1 | IMIDAZOLE, TRIAZOLE AND TETRAZOLE DERIVATIVES | MERCK SHARP & DOHME LIMITED (GB) | 1993-09-16 | — | — | WO | disclosed |