Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP19A1 | P11511 | 1/20 | 0.52 |
| ▸ | CA1 | P00915 | 1/20 | 0.51 |
| ▸ | CA2 | P00918 | 1/20 | 0.51 |
| ▸ | RAB9A | P51151 | 3/20 | 0.51 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.51 |
| ▸ | NPC1 | O15118 | 2/20 | 0.51 |
| ▸ | POLB | P06746 | 1/20 | 0.51 |
| ▸ | PLA2G4A | P47712 | 1/20 | 0.47 |
| ▸ | CMA1 | P23946 | 1/20 | 0.46 |
| ▸ | PLA2G4B | P0C869 | 1/20 | 0.46 |
| ▸ | CDK5 | Q00535 | 1/20 | 0.45 |
| ▸ | CDK5R1 | Q15078 | 1/20 | 0.45 |
| ▸ | CHRM1 | P11229 | 2/20 | 0.45 |
| ▸ | LDHA | P00338 | 1/20 | 0.45 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.45 |
| ▸ | ALKBH1 | Q13686 | 1/20 | 0.44 |
| ▸ | GSK3A | P49840 | 1/20 | 0.44 |
| ▸ | GSK3B | P49841 | 1/20 | 0.44 |
| ▸ | TSHR | P16473 | 1/20 | 0.44 |
| ▸ | TAS2R14 | Q9NYV8 | 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 | |
|---|---|---|---|---|
| SCHEMBL28321315 | 0.87 | CA1 (0.53) | CYP19A1CA1CA2CMA1CDK5 | |
| SCHEMBL7189635 | 0.84 | ERCC5 (0.50) | CYP19A1CMA1CDK5CDK5R1KMT2A | |
| SCHEMBL27947884 | 0.83 | SMN1; SMN2 (0.47) | CYP19A1SMN1; SMN2POLBPLA2G4ATP53 | |
| SCHEMBL4671523 | 0.83 | CYP19A1 (0.45) | CYP19A1RAB9ASMN1; SMN2NPC1POLB | |
| SCHEMBL4671526 | 0.83 | CYP19A1 (0.45) | CYP19A1RAB9ASMN1; SMN2NPC1POLB | |
| SCHEMBL2514239 | 0.80 | CYP2C19 (0.55) | CYP19A1CA1CA2POLBTSHR | |
| SCHEMBL2456750 | 0.77 | BRD4 (0.53) | CA1CA2RAB9ASMN1; SMN2NPC1 | |
| SCHEMBL27860133 | 0.77 | TPMT (0.44) | CYP19A1SMN1; SMN2POLBPLA2G4ATP53 | |
| SCHEMBL28102787 | 0.75 | ALDH1A1 (0.45) | CYP19A1RAB9ASMN1; SMN2NPC1CMA1 | |
| SCHEMBL10590280 | 0.74 | TSHR (0.50) | CA1CA2RAB9ASMN1; SMN2NPC1 |
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 |
|---|---|---|---|---|---|---|---|
| EP-4008328-A1 | PRIMARY CARBOXAMIDES AS BTK INHIBITORS | AbbVie Inc. (US) | 2022-06-08 | — | — | EP | disclosed |