Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AKR1B1 | P15121 | 1/20 | 0.37 |
| ▸ | HTR2A | P28223 | 6/20 | 0.35 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.33 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.33 |
| ▸ | HTR2C | P28335 | 2/20 | 0.32 |
| ▸ | ENPP2 | Q13822 | 1/20 | 0.32 |
| ▸ | GABRA1 | P14867 | 1/20 | 0.31 |
| ▸ | GABRG2 | P18507 | 1/20 | 0.31 |
| ▸ | GABRB3 | P28472 | 1/20 | 0.31 |
| ▸ | GABRA3 | P34903 | 1/20 | 0.31 |
| ▸ | GABRA2 | P47869 | 1/20 | 0.31 |
| ▸ | GABRB2 | P47870 | 1/20 | 0.31 |
| ▸ | MTNR1A | P48039 | 2/20 | 0.31 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.31 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.31 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.31 |
| ▸ | MTNR1B | P49286 | 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 | |
|---|---|---|---|---|
| SCHEMBL25824421 | 0.81 | HTR2A (0.37) | HTR2AHTR2CGABRA1GABRB2KDM4E | |
| SCHEMBL25822334 | 0.80 | HTR2A (0.34) | AKR1B1HTR2AALDH1A1 | |
| SCHEMBL25824423 | 0.80 | HTR2A (0.33) | AKR1B1HTR2AHTR2CMTNR1AMTNR1B | |
| Hydrochloric Acid SCHEMBL30487947 | 0.73 | AKR1B1 (0.45) | AKR1B1MTNR1AMTNR1B | |
| SCHEMBL23409296 | 0.71 | ALDH1A1 (0.40) | ALOX5PTGS2KDM4EALDH1A1TDP1 | |
| SCHEMBL29903147 | 0.71 | ALDH1A1 (0.40) | ALOX5PTGS2KDM4EALDH1A1TDP1 | |
| SCHEMBL25308480 | 0.71 | MEN1 (0.41) | ALDH1A1 | |
| SCHEMBL9234732 | 0.70 | MEN1 (0.54) | KDM4EALDH1A1TDP1 | |
| SCHEMBL25822333 | 0.70 | HTR2A (0.32) | HTR2AHTR2CMTNR1AMTNR1B | |
| SCHEMBL31245544 | 0.68 | TAAR1 (0.54) | ALDH1A1 |
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 |