Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TRPM4 | Q8TD43 | 1/20 | 0.56 |
| ▸ | PTPN22 | Q9Y2R2 | 1/20 | 0.50 |
| ▸ | NQO2 | P16083 | 1/20 | 0.48 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.43 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.43 |
| ▸ | CASP6 | P55212 | 1/20 | 0.43 |
| ▸ | NQO1 | P15559 | 1/20 | 0.42 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.41 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.40 |
| ▸ | MEN1 | O00255 | 2/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.40 |
| ▸ | NPC1 | O15118 | 1/20 | 0.40 |
| ▸ | RAB9A | P51151 | 1/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.39 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.39 |
| ▸ | CYP1B1 | Q16678 | 1/20 | 0.39 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.39 |
| ▸ | MAPT | P10636 | 2/20 | 0.39 |
| ▸ | IDO1 | P14902 | 1/20 | 0.39 |
| ▸ | THRB | P10828 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL631989 | 1.00 | TRPM4 (0.56) | TRPM4PTPN22NQO2PTPN1CYP1A2 | |
| SCHEMBL31258857 | 0.84 | TRPM4 (0.58) | TRPM4PTPN22NQO2PTPN1CYP1A2 | |
| SCHEMBL4247740 | 0.83 | PTPN22 (0.45) | TRPM4PTPN22NQO2CYP1A2CASP6 | |
| SCHEMBL30151482 | 0.79 | TRPM4 (0.62) | TRPM4PTPN22NQO2CYP1A2CASP6 | |
| SCHEMBL27738 | 0.79 | TRPM4 (0.62) | TRPM4PTPN22NQO2CYP1A2CASP6 | |
| SCHEMBL28159001 | 0.79 | TRPM4 (0.62) | TRPM4PTPN22NQO2CYP1A2CASP6 | |
| SCHEMBL11298208 | 0.79 | PTPN22 (0.42) | TRPM4PTPN22NQO2CYP1A2CASP6 | |
| SCHEMBL29344183 | 0.79 | CYP1A2 (0.45) | TRPM4PTPN22NQO2CYP1A2CASP6 | |
| SCHEMBL24857744 | 0.79 | TRPM4 (0.52) | TRPM4PTPN22NQO2PTPN1CYP1A2 | |
| SCHEMBL16646896 | 0.79 | TRPM4 (0.52) | TRPM4PTPN22NQO2PTPN1CYP1A2 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-4262807-A1 | AZAQUINAZOLINE PAN-KRAS INHIBITORS | Mirati Therapeutics, Inc. (US) | 2023-10-25 | — | — | EP | disclosed |
| CN-112204036-B | Macrocyclic fused pyrazoles as MCL-1 inhibitors | 苏州亚盛药业有限公司 | 2022-12-27 | — | — | CN | disclosed |
| WO-2022132200-A1 | AZAQUINAZOLINE PAN-KRAS INHIBITORS | Mirati Therapeutics, Inc. (US) | 2022-06-23 | — | — | WO | disclosed |