Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP17A1 | P05093 | 1/20 | 0.59 |
| ▸ | HTT | P42858 | 2/20 | 0.44 |
| ▸ | PDE10A | Q9Y233 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.40 |
| ▸ | RAB9A | P51151 | 2/20 | 0.40 |
| ▸ | NPC1 | O15118 | 1/20 | 0.40 |
| ▸ | GAA | P10253 | 1/20 | 0.40 |
| ▸ | GFER | P55789 | 1/20 | 0.40 |
| ▸ | FGFR1 | P11362 | 3/20 | 0.40 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.39 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.39 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.39 |
| ▸ | TSHR | P16473 | 1/20 | 0.39 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.39 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.39 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.39 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.39 |
| ▸ | HTR2B | P41595 | 1/20 | 0.39 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL4352301 | 0.85 | HTT (0.58) | HTTFGFR1SRC | |
| SCHEMBL8327896 | 0.83 | CYP17A1 (0.44) | CYP17A1HTTPDE10AALDH1A1KDM4E | |
| SCHEMBL20627517 | 0.79 | CYP17A1 (0.41) | CYP17A1HTTALDH1A1FGFR1MAPT | |
| SCHEMBL19350758 | 0.78 | MKNK1 (0.46) | CYP17A1HTTALDH1A1KDM4ERAB9A | |
| SCHEMBL17739633 | 0.78 | NPC1 (0.42) | CYP17A1HTTRAB9ANPC1FGFR1 | |
| SCHEMBL2642010 | 0.73 | HTT (0.44) | HTTFGFR1SRCKMT2A | |
| SCHEMBL8329068 | 0.72 | HTT (0.43) | CYP17A1HTTALDH1A1KDM4ERAB9A | |
| SCHEMBL18226399 | 0.72 | FGFR1 (0.47) | CYP17A1HTTFGFR1 | |
| SCHEMBL17077873 | 0.72 | FGFR1 (0.51) | RAB9ANPC1FGFR1 | |
| SCHEMBL29547628 | 0.72 | FGFR1 (0.55) | FGFR1 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0640085-B1 | FUSED IMIDAZOLE AND TRIAZOLE DERIVATIVES AS 5-HT1 RECEPTOR AGONISTS | MERCK SHARP & DOHME (GB) | 1999-03-24 | — | — | EP | disclosed |
| US-5514682-A | HEADACHE | MERCK SHARP & DOHME LIMITED (GB) | 1996-05-07 | — | — | US | disclosed |
| EP-0640085-A1 | FUSED IMIDAZOLE AND TRIAZOLE DERIVATIVES AS 5-HT1 RECEPTOR AGONISTS | MERCK SHARP & DOHME LTD. (GB) | 1995-03-01 | — | — | EP | disclosed |
| WO-1993023396-A1 | FUSED IMIDAZOLE AND TRIAZOLE DERIVATIVES AS 5-HT1 RECEPTOR AGONISTS | MERCK SHARP & DOHME LIMITED (GB) | 1993-11-25 | — | — | WO | disclosed |