Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A1 | P04798 | 1/20 | 0.36 |
| ▸ | CYP1B1 | Q16678 | 1/20 | 0.36 |
| ▸ | KRAS | P01116 | 1/20 | 0.33 |
| ▸ | ESR1 | P03372 | 1/20 | 0.32 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.32 |
| ▸ | 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 |
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 | |
|---|---|---|---|---|
| SCHEMBL25802832 | 0.88 | ESR1 (0.38) | CYP1A1CYP1B1ESR1ESR2MEN1 | |
| SCHEMBL24176065 | 0.84 | ESR2 (0.36) | ESR1ESR2MEN1ALDH1A1DNMT1 | |
| SCHEMBL23980081 | 0.80 | CYP1A1 (0.38) | CYP1A1CYP1B1MEN1ALDH1A1KMT2A | |
| SCHEMBL24663391 | 0.79 | CYP1A1 (0.39) | CYP1A1CYP1B1KRASESR1ESR2 | |
| SCHEMBL25802831 | 0.79 | ALDH1A1 (0.36) | ESR1ESR2MEN1ALDH1A1DNMT1 | |
| SCHEMBL25999898 | 0.77 | MEN1 (0.39) | MEN1ALDH1A1DNMT1CACNA1BAPBA1 | |
| SCHEMBL24731143 | 0.77 | MEN1 (0.34) | ESR1ESR2MEN1ALDH1A1DNMT1 | |
| SCHEMBL24732063 | 0.76 | ESR1 (0.39) | ESR1ESR2 | |
| SCHEMBL24757921 | 0.76 | CYP1A1 (0.39) | CYP1A1CYP1B1KRASESR1ESR2 | |
| SCHEMBL27377766 | 0.76 | CYP1A1 (0.39) | CYP1A1CYP1B1KRASESR1ESR2 |
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-2022002102-A1 | QUINAZOLINE COMPOUNDS, PREPARATION METHODS AND USES THEREOF | InventisBio Co., Ltd. (CN) | 2022-01-06 | — | — | WO | disclosed |