Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.45 |
| ▸ | PPARA | Q07869 | 2/20 | 0.45 |
| ▸ | AVPR1B | P47901 | 1/20 | 0.43 |
| ▸ | NPC1 | O15118 | 5/20 | 0.43 |
| ▸ | RAB9A | P51151 | 5/20 | 0.43 |
| ▸ | SMN1; SMN2 | Q16637 | 5/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.43 |
| ▸ | HSD17B1 | P14061 | 1/20 | 0.43 |
| ▸ | HSD17B2 | P37059 | 1/20 | 0.43 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.43 |
| ▸ | MAPT | P10636 | 2/20 | 0.43 |
| ▸ | CYP2E1 | P05181 | 1/20 | 0.43 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.43 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.43 |
| ▸ | CYP2B6 | P20813 | 1/20 | 0.43 |
| ▸ | HPGD | P15428 | 2/20 | 0.43 |
| ▸ | MEN1 | O00255 | 2/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.43 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.43 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL13680614 | 0.85 | PPARA (0.44) | ALDH1A1PPARAAVPR1BNPC1RAB9A | |
| SCHEMBL13680487 | 0.82 | ALDH1A1 (0.49) | ALDH1A1PPARANPC1RAB9ASMN1; SMN2 | |
| SCHEMBL13680478 | 0.82 | KDM4E (0.62) | ALDH1A1PPARANPC1RAB9ASMN1; SMN2 | |
| SCHEMBL13680734 | 0.81 | CYP2E1 (0.43) | ALDH1A1PPARANPC1RAB9ASMN1; SMN2 | |
| SCHEMBL13680482 | 0.81 | TGFBR1 (0.51) | ALDH1A1PPARANPC1RAB9ASMN1; SMN2 | |
| SCHEMBL19846771 | 0.81 | AVPR1B (0.51) | ALDH1A1AVPR1BNPC1RAB9ASMN1; SMN2 | |
| SCHEMBL15349056 | 0.81 | AVPR1B (0.51) | ALDH1A1AVPR1BNPC1RAB9ASMN1; SMN2 | |
| SCHEMBL18038427 | 0.80 | AVPR1B (0.50) | ALDH1A1AVPR1BNPC1RAB9ASMN1; SMN2 | |
| SCHEMBL8198560 | 0.79 | CYP3A4 (0.60) | ALDH1A1NPC1RAB9ASMN1; SMN2KDM4E | |
| SCHEMBL13680524 | 0.78 | MAPT (0.58) | ALDH1A1PPARANPC1RAB9ASMN1; SMN2 |
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 |
|---|---|---|---|---|---|---|---|
| US-7582658-B2 | Bicyclic compound | ASAHI KASEI PHARMA CORPORATION (JP) | 2009-09-01 | — | — | US | disclosed |
| US-7582658-B2 | Bicyclic compound | ASAHI KASEI PHARMA CORPORATION (JP) | 2009-09-01 | — | — | US | disclosed |