Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 6/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 5/20 | 0.38 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.38 |
| ▸ | TSHR | P16473 | 2/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.38 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.38 |
| ▸ | ALOX15 | P16050 | 2/20 | 0.38 |
| ▸ | PIK3CA | P42336 | 11/20 | 0.37 |
| ▸ | MTOR | P42345 | 1/20 | 0.35 |
| ▸ | CCND1 | P24385 | 1/20 | 0.35 |
| ▸ | CCNE1 | P24864 | 1/20 | 0.35 |
| ▸ | CDK2 | P24941 | 1/20 | 0.35 |
| ▸ | CDK6 | Q00534 | 1/20 | 0.35 |
| ▸ | HPGD | P15428 | 1/20 | 0.34 |
| ▸ | ADORA2A | P29274 | 2/20 | 0.34 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.33 |
| ▸ | ADORA2B | P29275 | 1/20 | 0.33 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL23326451 | 1.00 | CYP1A2 (0.38) | CYP1A2CYP3A4CYP2C9TSHRALDH1A1 | |
| SCHEMBL29861884 | 0.76 | EGFR (0.35) | CYP1A2CYP3A4CYP2C9TSHRALDH1A1 | |
| SCHEMBL23326642 | 0.76 | EGFR (0.35) | CYP1A2CYP3A4CYP2C9TSHRALDH1A1 | |
| SCHEMBL23326346 | 0.76 | SOS1 (0.52) | CYP1A2CYP3A4CYP2C9TSHRALDH1A1 | |
| SCHEMBL21130026 | 0.66 | ALDH1A1 (0.34) | ALDH1A1 | |
| SCHEMBL788621 | 0.66 | CYP1A2 (0.41) | CYP1A2CYP3A4CYP2C9TSHRALDH1A1 | |
| SCHEMBL1450218 | 0.63 | SLC22A12 (0.34) | MTORCCND1CDK2 | |
| SCHEMBL21129822 | 0.63 | JAK2 (0.34) | ALDH1A1 | |
| SCHEMBL21129826 | 0.63 | — | — | |
| SCHEMBL16967987 | 0.63 | PIP4K2A (0.49) | ADORA2AADORA3ADORA2BADORA1 |
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 |
|---|---|---|---|---|---|---|---|
| EP-4055017-A1 | BICYCLIC HETEROARYL COMPOUNDS AND USES THEREOF | Revolution Medicines, Inc. (US) | 2022-09-14 | — | — | EP | disclosed |
| CN-114901662-A | Bicyclic heteroaryl compounds and uses thereof | 锐新医药公司 | 2022-08-12 | — | — | CN | disclosed |