Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 6/20 | 0.60 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.48 |
| ▸ | MAOB | P27338 | 1/20 | 0.47 |
| ▸ | F2RL3 | Q96RI0 | 3/20 | 0.46 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.45 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.45 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.45 |
| ▸ | MPO | P05164 | 1/20 | 0.43 |
| ▸ | CA12 | O43570 | 1/20 | 0.43 |
| ▸ | CA1 | P00915 | 1/20 | 0.43 |
| ▸ | CA2 | P00918 | 1/20 | 0.43 |
| ▸ | CA7 | P43166 | 1/20 | 0.43 |
| ▸ | CA9 | Q16790 | 1/20 | 0.43 |
| ▸ | ABCB1 | P08183 | 2/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.42 |
| ▸ | TP53 | P04637 | 1/20 | 0.42 |
| ▸ | TSHR | P16473 | 1/20 | 0.42 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.42 |
| ▸ | HTR1A | P08908 | 1/20 | 0.41 |
| ▸ | DRD2 | P14416 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL19783575 | 1.00 | CYP3A4 (0.60) | CYP3A4TDP1MAOBF2RL3KCNH2 | |
| SCHEMBL20305445 | 0.90 | CYP3A4 (0.60) | CYP3A4TDP1MAOBKCNH2CYP1A2 | |
| SCHEMBL30189837 | 0.85 | ALDH1A1 (0.48) | CYP3A4MAOBF2RL3ABCB1ALDH1A1 | |
| SCHEMBL19783755 | 0.85 | ALDH1A1 (0.48) | CYP3A4MAOBF2RL3ABCB1ALDH1A1 | |
| SCHEMBL23628929 | 0.80 | CYP3A4 (0.56) | CYP3A4KCNH2CYP1A2CYP2C19 | |
| SCHEMBL9722840 | 0.79 | CYP3A4 (0.58) | CYP3A4TDP1F2RL3CYP1A2CYP2C19 | |
| SCHEMBL23628943 | 0.79 | CYP3A4 (0.53) | CYP3A4MAOBMPO | |
| SCHEMBL21395966 | 0.79 | CYP3A4 (0.52) | CYP3A4TDP1MAOBKCNH2CYP2C19 | |
| SCHEMBL23628947 | 0.79 | TOP2A (0.55) | CYP3A4KCNH2CYP2C19MPO | |
| SCHEMBL23628946 | 0.78 | CYP3A4 (0.51) | CYP3A4KCNH2CYP2C19 |
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 |
|---|---|---|---|---|---|---|---|
| CN-109689647-B | Bicyclic heteroaryl substituted compounds | 百时美施贵宝公司 | 2023-01-20 | — | — | CN | disclosed |