Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 4/20 | 0.58 |
| ▸ | CYP2C9 | P11712 | 4/20 | 0.58 |
| ▸ | CYP2C19 | P33261 | 4/20 | 0.58 |
| ▸ | CYP2E1 | P05181 | 3/20 | 0.58 |
| ▸ | CYP2A6 | P11509 | 3/20 | 0.58 |
| ▸ | CYP2B6 | P20813 | 3/20 | 0.58 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.47 |
| ▸ | ADRA2B | P18089 | 1/20 | 0.47 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.47 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.47 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.45 |
| ▸ | THPO | P40225 | 1/20 | 0.45 |
| ▸ | CA1 | P00915 | 3/20 | 0.44 |
| ▸ | CA2 | P00918 | 3/20 | 0.44 |
| ▸ | CA7 | P43166 | 2/20 | 0.44 |
| ▸ | CA9 | Q16790 | 2/20 | 0.44 |
| ▸ | CA12 | O43570 | 1/20 | 0.44 |
| ▸ | CA4 | P22748 | 1/20 | 0.44 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.44 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL23124208 | 1.00 | CYP1A2 (0.58) | CYP1A2CYP2C9CYP2C19CYP2E1CYP2A6 | |
| SCHEMBL28352745 | 0.82 | CA1 (0.46) | CYP1A2CYP2C9CYP2C19CYP2E1CYP2A6 | |
| SCHEMBL4214499 | 0.81 | CA1 (0.60) | ALDH1A1ADRA2BPTGS1TDP1CYP3A4 | |
| SCHEMBL30022461 | 0.81 | CA1 (0.60) | ALDH1A1ADRA2BPTGS1TDP1CYP3A4 | |
| SCHEMBL30780882 | 0.81 | FFAR1 (0.47) | CYP1A2CYP2C9CYP2C19CYP2E1CYP2A6 | |
| SCHEMBL8914785 | 0.81 | CA1 (0.44) | CYP1A2CYP2C9CYP2C19CYP2E1CYP2A6 | |
| SCHEMBL6814216 | 0.81 | FFAR1 (0.47) | CYP1A2CYP2C9CYP2C19CYP2E1CYP2A6 | |
| SCHEMBL30780883 | 0.81 | FFAR1 (0.47) | CYP1A2CYP2C9CYP2C19CYP2E1CYP2A6 | |
| SCHEMBL6447254 | 0.79 | CYP2C19 (0.61) | CYP1A2CYP2C9CYP2C19CYP2E1CYP2A6 | |
| SCHEMBL23266142 | 0.78 | ALDH1A1 (0.47) | CYP1A2CYP2C9CYP2C19CYP2E1CYP2A6 |
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-114787136-A | Substituted benzimidazole carboxamides and their use in the treatment of medical disorders | 比亚尔R&D投资股份公司 | 2022-07-22 | — | — | CN | disclosed |