Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HPGDS | O60760 | 10/20 | 0.61 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.57 |
| ▸ | CYP2E1 | P05181 | 1/20 | 0.57 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.57 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.57 |
| ▸ | CYP2B6 | P20813 | 1/20 | 0.57 |
| ▸ | RAB9A | P51151 | 3/20 | 0.50 |
| ▸ | NPC1 | O15118 | 2/20 | 0.50 |
| ▸ | NFKB1 | P19838 | 2/20 | 0.50 |
| ▸ | NFKB2 | Q00653 | 2/20 | 0.50 |
| ▸ | RELA | Q04206 | 2/20 | 0.50 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.50 |
| ▸ | PDE10A | Q9Y233 | 1/20 | 0.50 |
| ▸ | SREBF2 | Q12772 | 1/20 | 0.45 |
| ▸ | MAPT | P10636 | 1/20 | 0.42 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.42 |
| ▸ | TACR3 | P29371 | 1/20 | 0.42 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.42 |
| ▸ | MEN1 | O00255 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL87128 | 0.84 | CYP3A4 (0.65) | CYP3A4CYP2E1CYP2A6CYP2C9CYP2B6 | |
| SCHEMBL14438067 | 0.80 | CYP3A4 (0.61) | CYP3A4CYP2E1CYP2A6CYP2C9CYP2B6 | |
| SCHEMBL13680744 | 0.78 | CYP3A4 (0.53) | HPGDSCYP3A4CYP2E1CYP2A6CYP2C9 | |
| SCHEMBL2316670 | 0.78 | HPGDS (0.78) | HPGDSRAB9ANPC1NFKB1NFKB2 | |
| SCHEMBL2311294 | 0.76 | HPGDS (1.00) | HPGDSKDM4EALDH1A1 | |
| SCHEMBL6840352 | 0.75 | CYP3A4 (0.64) | HPGDSCYP3A4CYP2E1CYP2A6CYP2C9 | |
| SCHEMBL13680738 | 0.75 | CYP3A4 (0.50) | HPGDSCYP3A4CYP2E1CYP2A6CYP2C9 | |
| SCHEMBL27287019 | 0.75 | CYP3A4 (0.54) | CYP3A4CYP2E1CYP2A6CYP2C9CYP2B6 | |
| SCHEMBL13680739 | 0.74 | ADORA2A (0.49) | HPGDSCYP3A4CYP2E1CYP2A6CYP2C9 | |
| SCHEMBL4640173 | 0.74 | SREBF2 (0.67) | CYP3A4CYP2E1CYP2A6CYP2C9CYP2B6 |
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 1 patent. 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 |