Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2C19 | P33261 | 4/20 | 0.60 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.60 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.60 |
| ▸ | CYP2C9 | P11712 | 3/20 | 0.60 |
| ▸ | THPO | P40225 | 1/20 | 0.60 |
| ▸ | BLM | P54132 | 1/20 | 0.58 |
| ▸ | PMP22 | Q01453 | 1/20 | 0.58 |
| ▸ | CYP2A6 | P11509 | 4/20 | 0.46 |
| ▸ | CYP2E1 | P05181 | 3/20 | 0.46 |
| ▸ | CYP2B6 | P20813 | 3/20 | 0.46 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.44 |
| ▸ | CYP2C8 | P10632 | 1/20 | 0.42 |
| ▸ | PYCR1 | P32322 | 1/20 | 0.40 |
| ▸ | HTR2A | P28223 | 2/20 | 0.39 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.36 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.36 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.36 |
| ▸ | APP | P05067 | 1/20 | 0.35 |
| ▸ | MAOB | P27338 | 2/20 | 0.34 |
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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL21803742 | 0.98 | BLM (0.61) | CYP2C19CYP1A2CYP3A4CYP2C9THPO | |
| SCHEMBL6449000 | 0.87 | CYP2C19 (0.75) | CYP2C19CYP1A2CYP3A4CYP2C9THPO | |
| SCHEMBL508102 | 0.78 | PYCR1 (0.41) | CYP2C19CYP1A2CYP3A4CYP2C9THPO | |
| SCHEMBL2080824 | 0.76 | CYP2C19 (0.60) | CYP2C19CYP1A2CYP3A4CYP2C9THPO | |
| SCHEMBL7038938 | 0.76 | CYP2C19 (0.60) | CYP2C19CYP1A2CYP3A4CYP2C9THPO | |
| Hydrochloric Acid SCHEMBL25239520 | 0.76 | BLM (0.64) | CYP2C19CYP1A2CYP3A4CYP2C9THPO | |
| SCHEMBL3451115 | 0.76 | CYP2C19 (0.60) | CYP2C19CYP1A2CYP3A4CYP2C9THPO | |
| SCHEMBL797749 | 0.76 | FFAR1 (0.40) | CYP2C19CYP1A2CYP3A4CYP2C9THPO | |
| SCHEMBL4621099 | 0.76 | PYCR1 (0.40) | CYP2C19CYP1A2CYP3A4CYP2C9THPO | |
| SCHEMBL7573145 | 0.76 | CYP2C19 (0.60) | CYP2C19CYP1A2CYP3A4CYP2C9THPO |
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 |