Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTT | P42858 | 4/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.43 |
| ▸ | RAB9A | P51151 | 1/20 | 0.43 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.43 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.40 |
| ▸ | MAPT | P10636 | 4/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.39 |
| ▸ | NPSR1 | Q6W5P4 | 3/20 | 0.39 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.39 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.39 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.39 |
| ▸ | PPP1CA | P62136 | 1/20 | 0.39 |
| ▸ | PTK2B | Q14289 | 1/20 | 0.38 |
| ▸ | DHODH | Q02127 | 1/20 | 0.38 |
| ▸ | FGFR1 | P11362 | 2/20 | 0.37 |
| ▸ | POLB | P06746 | 1/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.36 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.36 |
| ▸ | THRB | P10828 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL19350758 | 0.81 | MKNK1 (0.46) | HTTALDH1A1KDM4ERAB9ASMN1; SMN2 | |
| SCHEMBL4352301 | 0.78 | HTT (0.58) | HTTFGFR1 | |
| SCHEMBL17739633 | 0.74 | NPC1 (0.42) | HTTRAB9ASMN1; SMN2FGFR1CYP17A1 | |
| SCHEMBL8327896 | 0.74 | CYP17A1 (0.44) | HTTALDH1A1KDM4ERAB9ASMN1; SMN2 | |
| SCHEMBL8329072 | 0.72 | CYP17A1 (0.59) | HTTALDH1A1KDM4ERAB9ASMN1; SMN2 | |
| SCHEMBL29547628 | 0.71 | FGFR1 (0.55) | FGFR1 | |
| SCHEMBL2642010 | 0.70 | HTT (0.44) | HTTKMT2AFGFR1 | |
| SCHEMBL17739612 | 0.69 | HTT (0.35) | HTTMAPTKMT2ANPSR1CYP1A2 | |
| SCHEMBL18226399 | 0.69 | FGFR1 (0.47) | HTTFGFR1CYP3A4CYP17A1 | |
| SCHEMBL17077873 | 0.69 | FGFR1 (0.51) | RAB9AFGFR1CYP3A4NR1H4 |
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 |