Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A1 | P04798 | 1/20 | 0.36 |
| ▸ | CYP1B1 | Q16678 | 1/20 | 0.36 |
| ▸ | APP | P05067 | 2/20 | 0.33 |
| ▸ | KRAS | P01116 | 1/20 | 0.33 |
| ▸ | ESR1 | P03372 | 1/20 | 0.32 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.32 |
| ▸ | CDC25B | P30305 | 2/20 | 0.31 |
| ▸ | MEN1 | O00255 | 1/20 | 0.31 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.31 |
| ▸ | DNMT1 | P26358 | 1/20 | 0.31 |
| ▸ | CACNA1B | Q00975 | 1/20 | 0.31 |
| ▸ | APBA1 | Q02410 | 1/20 | 0.31 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.31 |
| ▸ | MCL1 | Q07820 | 1/20 | 0.31 |
| ▸ | APOBEC3G | Q9HC16 | 1/20 | 0.31 |
| ▸ | NQO2 | P16083 | 1/20 | 0.30 |
| ▸ | TSHR | P16473 | 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 | |
|---|---|---|---|---|
| SCHEMBL25446771 | 0.80 | CYP1A1 (0.38) | CYP1A1CYP1B1ALDH1A1TSHR | |
| SCHEMBL24663391 | 0.79 | CYP1A1 (0.39) | CYP1A1CYP1B1KRASESR1ESR2 | |
| SCHEMBL24697328 | 0.76 | ESR1 (0.39) | APPESR1ESR2 | |
| SCHEMBL24757921 | 0.76 | CYP1A1 (0.39) | CYP1A1CYP1B1KRASESR1ESR2 | |
| SCHEMBL27377766 | 0.76 | CYP1A1 (0.39) | CYP1A1CYP1B1KRASESR1ESR2 | |
| SCHEMBL25051852 | 0.75 | CA2 (0.40) | CYP1A1CYP1B1KRASESR1ESR2 | |
| SCHEMBL26064407 | 0.75 | FLT3 (0.36) | CYP1A1CYP1B1KRASESR1ESR2 | |
| SCHEMBL24679603 | 0.75 | GABRA1 (0.36) | CYP1A1CYP1B1APPKRASESR1 | |
| SCHEMBL24176136 | 0.75 | CYP1A1 (0.36) | CYP1A1CYP1B1KRASESR1ESR2 | |
| SCHEMBL24697255 | 0.73 | GABRA1 (0.41) | KRASESR1ESR2CDC25BMEN1 |
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 |