Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2A6 | P11509 | 6/20 | 0.50 |
| ▸ | CYP3A4 | P08684 | 4/20 | 0.50 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.50 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.50 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.49 |
| ▸ | NPC1 | O15118 | 3/20 | 0.47 |
| ▸ | RAB9A | P51151 | 3/20 | 0.47 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.47 |
| ▸ | CYP2C9 | P11712 | 3/20 | 0.46 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.46 |
| ▸ | CYP11B1 | P15538 | 2/20 | 0.46 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.46 |
| ▸ | CYP2E1 | P05181 | 1/20 | 0.46 |
| ▸ | CYP2B6 | P20813 | 1/20 | 0.46 |
| ▸ | TSHR | P16473 | 2/20 | 0.45 |
| ▸ | MEN1 | O00255 | 1/20 | 0.45 |
| ▸ | GLA | P06280 | 1/20 | 0.45 |
| ▸ | CLK4 | Q9HAZ1 | 1/20 | 0.45 |
| ▸ | ADRA2C | P18825 | 2/20 | 0.45 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.45 |
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 | |
|---|---|---|---|---|
| SCHEMBL3789748 | 1.00 | CYP2A6 (0.50) | CYP2A6CYP3A4ALDH1A1CYP1A2PTGS2 | |
| SCHEMBL30026143 | 0.80 | CYP2A6 (0.70) | CYP2A6CYP3A4ALDH1A1CYP1A2PTGS2 | |
| SCHEMBL20541087 | 0.80 | CYP2A6 (0.70) | CYP2A6CYP3A4ALDH1A1CYP1A2PTGS2 | |
| SCHEMBL3787569 | 0.79 | MAPK11 (0.47) | CYP3A4ALDH1A1NPC1RAB9AKMT2A | |
| SCHEMBL12853987 | 0.78 | CYP2A6 (0.67) | CYP2A6CYP3A4ALDH1A1CYP1A2PTGS2 | |
| SCHEMBL21110859 | 0.78 | CYP2A6 (0.67) | CYP2A6CYP3A4ALDH1A1CYP1A2PTGS2 | |
| SCHEMBL1254512 | 0.78 | ALDH1A1 (0.45) | CYP2A6ALDH1A1PTGS2KMT2ATSHR | |
| SCHEMBL29433183 | 0.78 | ALDH1A1 (0.45) | CYP2A6ALDH1A1PTGS2KMT2ATSHR | |
| SCHEMBL20794314 | 0.76 | KCNA5 (0.41) | CYP2A6CYP3A4ALDH1A1CYP1A2PTGS2 | |
| SCHEMBL30763243 | 0.76 | ALDH1A1 (0.44) | CYP2A6ALDH1A1PTGS2KMT2ATSHR |
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-110402248-B | Azaindoles as HPK1 inhibitors | 豪夫迈·罗氏有限公司 | 2023-01-06 | — | — | CN | disclosed |