Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2C19 | P33261 | 1/20 | 0.38 |
| ▸ | ELOVL1 | Q9BW60 | 4/20 | 0.37 |
| ▸ | CYP1A1 | P04798 | 1/20 | 0.32 |
| ▸ | CYP1B1 | Q16678 | 1/20 | 0.32 |
| ▸ | CYP17A1 | P05093 | 1/20 | 0.32 |
| ▸ | ALOX5AP | P20292 | 3/20 | 0.30 |
| ▸ | FEN1 | P39748 | 3/20 | 0.30 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL25465007 | 0.78 | CYP2C19 (0.41) | CYP2C19ELOVL1CYP1A1CYP1B1CYP17A1 | |
| SCHEMBL22143097 | 0.76 | PIK3CD (0.41) | — | |
| SCHEMBL25791777 | 0.75 | KMO (0.44) | CYP2C19ELOVL1CYP1A1CYP1B1CYP17A1 | |
| SCHEMBL31749710 | 0.73 | CYP2C19 (0.38) | CYP2C19ELOVL1CYP17A1ALOX5APFEN1 | |
| SCHEMBL17613226 | 0.72 | CYP2C19 (0.41) | CYP2C19ELOVL1CYP17A1ALOX5APFEN1 | |
| SCHEMBL14990759 | 0.71 | HTR2C (0.41) | CYP2C19 | |
| SCHEMBL31749927 | 0.70 | EGFR (0.35) | CYP2C19 | |
| SCHEMBL14991022 | 0.69 | HTT (0.51) | — | |
| SCHEMBL12026523 | 0.69 | KDM5A (0.37) | — | |
| SCHEMBL15025645 | 0.68 | KMO (0.41) | CYP2C19CYP17A1 |
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-3897652-A1 | SUBSTITUTED PYRAZOLOPYRIMIDINES AND SUBSTITUTED PURINES AND THEIR USE AS UBIQUITIN-SPECIFIC-PROCESSING PROTEASE 1 (USP1) INHIBITORS | KSQ Therapeutics, Inc. (US) | 2021-10-27 | — | — | EP | disclosed |
| WO-2020132269-A1 | SUBSTITUTED PYRAZOLOPYRIMIDINES AND SUBSTITUTED PURINES AND THEIR USE AS UBIQUITIN-SPECIFIC-PROCESSING PROTEASE 1 (USP1) INHIBITORS | KSQ Therapeutics, Inc. (US) | 2020-06-25 | — | — | WO | disclosed |