Predicted protein targets (top 6)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.52 |
| ▸ | USP2 | O75604 | 1/20 | 0.33 |
| ▸ | TSHR | P16473 | 1/20 | 0.33 |
| ▸ | CA1 | P00915 | 1/20 | 0.32 |
| ▸ | CA2 | P00918 | 1/20 | 0.32 |
| ▸ | CA9 | Q16790 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL21402194 | 0.80 | ALDH1A1 (0.35) | ALDH1A1CA1CA2CA9 | |
| SCHEMBL166313 | 0.76 | ALDH1A1 (0.50) | ALDH1A1USP2TSHRCA1CA2 | |
| SCHEMBL11304004 | 0.76 | ALDH1A1 (0.32) | ALDH1A1CA1CA2CA9 | |
| SCHEMBL14280295 | 0.74 | ALDH1A1 (0.48) | ALDH1A1USP2TSHRCA1CA2 | |
| SCHEMBL11295878 | 0.74 | ALDH1A1 (0.31) | ALDH1A1 | |
| SCHEMBL14920310 | 0.72 | ALDH1A1 (0.46) | ALDH1A1 | |
| SCHEMBL9190312 | 0.70 | ALDH1A1 (0.44) | ALDH1A1 | |
| SCHEMBL27753113 | 0.70 | — | — | |
| SCHEMBL18609038 | 0.70 | — | — | |
| SCHEMBL5553793 | 0.69 | ALDH1A1 (0.65) | ALDH1A1USP2TSHRCA1CA2 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3615526-A1 | PHENOXYQUINAZOLINE COMPOUNDS AND THEIR USE IN TREATING CANCER | Astrazeneca (SE) | 2020-03-04 | — | — | EP | disclosed |
| WO-2018197643-A1 | PHENOXYQUINAZOLINE COMPOUNDS AND THEIR USE IN TREATING CANCER | ASTRAZENECA AB (SE) | 2018-11-01 | — | — | WO | disclosed |
| US-4286073-A | Urethane catalysis | AIR PRODUCTS AND CHEMICALS, INC. (US) | 1981-08-25 | — | — | US | disclosed |