Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | BTK | Q06187 | 1/20 | 0.39 |
| ▸ | CYP2E1 | P05181 | 1/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.39 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.39 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.39 |
| ▸ | CYP2B6 | P20813 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.37 |
| ▸ | EIF2AK2 | P19525 | 1/20 | 0.37 |
| ▸ | TGFBR1 | P36897 | 2/20 | 0.37 |
| ▸ | GRIN1 | Q05586 | 1/20 | 0.36 |
| ▸ | GRIN2B | Q13224 | 1/20 | 0.36 |
| ▸ | TSHR | P16473 | 1/20 | 0.36 |
| ▸ | AOC3 | Q16853 | 2/20 | 0.35 |
| ▸ | RAB9A | P51151 | 1/20 | 0.34 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.34 |
| ▸ | S1PR1 | P21453 | 1/20 | 0.34 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.34 |
| ▸ | USP2 | O75604 | 1/20 | 0.34 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.34 |
| ▸ | HSD17B10 | Q99714 | 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 | |
|---|---|---|---|---|
| SCHEMBL13681048 | 0.79 | BTK (0.36) | BTKALDH1A1EIF2AK2RAB9ASMN1; SMN2 | |
| SCHEMBL19002406 | 0.72 | CYP3A4 (0.47) | CYP2E1CYP3A4CYP2A6CYP2C9CYP2B6 | |
| SCHEMBL13680671 | 0.72 | CYP2A6 (0.44) | BTKCYP2A6ALDH1A1TGFBR1KDM4E | |
| SCHEMBL6938232 | 0.70 | ALPI (0.54) | CYP3A4CYP2C9ALDH1A1RAB9ASMN1; SMN2 | |
| SCHEMBL13680749 | 0.69 | ALDH1A1 (0.46) | CYP2E1CYP3A4CYP2A6CYP2C9CYP2B6 | |
| SCHEMBL13680646 | 0.68 | EIF2AK2 (0.46) | EIF2AK2GRIN1GRIN2B | |
| SCHEMBL13680717 | 0.68 | FGFR1 (0.40) | BTKCYP2C9ALDH1A1RAB9ASMN1; SMN2 | |
| SCHEMBL13680742 | 0.67 | CYP2E1 (0.45) | CYP2E1CYP3A4CYP2A6CYP2C9CYP2B6 | |
| SCHEMBL16437820 | 0.65 | ALDH1A1 (0.45) | ALDH1A1TSHRRAB9ASMN1; SMN2S1PR1 | |
| SCHEMBL13113429 | 0.65 | HSD17B10 (0.50) | ALDH1A1RAB9ASMN1; SMN2S1PR1KDM4E |
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 |