Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP17A1 | P05093 | 1/20 | 0.44 |
| ▸ | MKNK1 | Q9BUB5 | 3/20 | 0.41 |
| ▸ | MKNK2 | Q9HBH9 | 2/20 | 0.41 |
| ▸ | HTT | P42858 | 3/20 | 0.38 |
| ▸ | FGFR1 | P11362 | 1/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.35 |
| ▸ | RAB9A | P51151 | 2/20 | 0.35 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.35 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.35 |
| ▸ | NPC1 | O15118 | 1/20 | 0.35 |
| ▸ | GAA | P10253 | 1/20 | 0.35 |
| ▸ | GFER | P55789 | 1/20 | 0.35 |
| ▸ | POLB | P06746 | 1/20 | 0.35 |
| ▸ | PDE10A | Q9Y233 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL8329072 | 0.83 | CYP17A1 (0.59) | CYP17A1HTTFGFR1KDM4EALDH1A1 | |
| SCHEMBL19350758 | 0.82 | MKNK1 (0.46) | CYP17A1MKNK1MKNK2HTTFGFR1 | |
| SCHEMBL20627517 | 0.81 | CYP17A1 (0.41) | CYP17A1MKNK1MKNK2HTTFGFR1 | |
| SCHEMBL4352301 | 0.80 | HTT (0.58) | HTTFGFR1 | |
| SCHEMBL17739633 | 0.79 | NPC1 (0.42) | CYP17A1MKNK1MKNK2HTTFGFR1 | |
| SCHEMBL8327824 | 0.77 | HDAC6 (0.59) | CYP17A1HTTFGFR1KDM4EALDH1A1 | |
| SCHEMBL29547628 | 0.76 | FGFR1 (0.55) | MKNK1MKNK2FGFR1HDAC6 | |
| SCHEMBL8329068 | 0.74 | HTT (0.43) | CYP17A1HTTFGFR1KDM4EALDH1A1 | |
| SCHEMBL18226399 | 0.73 | FGFR1 (0.47) | CYP17A1MKNK1MKNK2HTTFGFR1 | |
| SCHEMBL17077873 | 0.73 | FGFR1 (0.51) | FGFR1RAB9AHDAC6NPC1 |
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 2 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 |