Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 1/20 | 0.38 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.38 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.38 |
| ▸ | MAOA | P21397 | 1/20 | 0.38 |
| ▸ | TBXA2R | P21731 | 1/20 | 0.38 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.38 |
| ▸ | HTR2B | P41595 | 1/20 | 0.38 |
| ▸ | AKT1 | P31749 | 2/20 | 0.36 |
| ▸ | ESR1 | P03372 | 2/20 | 0.34 |
| ▸ | ESR2 | Q92731 | 2/20 | 0.34 |
| ▸ | LMNA | P02545 | 1/20 | 0.33 |
| ▸ | NR1I2 | O75469 | 2/20 | 0.33 |
| ▸ | MEN1 | O00255 | 1/20 | 0.32 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.32 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.32 |
| ▸ | ATM | Q13315 | 1/20 | 0.32 |
| ▸ | ACHE | P22303 | 1/20 | 0.31 |
| ▸ | ALOX5 | P09917 | 5/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL24755126 | 0.89 | CYP3A4 (0.38) | CYP3A4CHRM1ALOX15MAOATBXA2R | |
| SCHEMBL25826782 | 0.79 | ALDH1A1 (0.35) | ALOX15AKT1LMNANR1I2 | |
| SCHEMBL25819251 | 0.79 | AKT1 (0.35) | AKT1ESR1ESR2 | |
| SCHEMBL29862066 | 0.76 | ALOX5 (0.33) | MAOAAKT1ESR1ESR2ALOX5 | |
| SCHEMBL24755124 | 0.75 | CYP3A4 (0.38) | CYP3A4CHRM1ALOX15MAOATBXA2R | |
| SCHEMBL31461881 | 0.73 | PTGS2 (0.40) | CYP3A4ALOX15AKT1LMNAALOX5 | |
| SCHEMBL27300608 | 0.68 | FDPS (0.35) | CYP3A4MEN1KMT2A | |
| SCHEMBL16568082 | 0.67 | ALOX5 (0.53) | CYP3A4ACHEALOX5 | |
| SCHEMBL31283953 | 0.67 | ALOX5 (0.53) | CYP3A4ACHEALOX5 | |
| SCHEMBL25811601 | 0.67 | CYP3A4 (0.33) | CYP3A4CHRM1ALOX15MAOATBXA2R |
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 |
|---|---|---|---|---|---|---|---|
| WO-2023125989-A1 | QUINAZOLINE COMPOUND AND APPLICATION THEREOF | 上海医药集团股份有限公司 | 2023-07-06 | — | — | WO | disclosed |