Predicted protein targets (top 6)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.34 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.34 |
| ▸ | TSHR | P16473 | 1/20 | 0.32 |
| ▸ | PKM | P14618 | 1/20 | 0.31 |
| ▸ | TRPV3 | Q8NET8 | 1/20 | 0.31 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL9407524 | 0.88 | PKM (0.34) | ALDH1A1TSHRPKM | |
| SCHEMBL11595660 | 0.83 | ALDH1A1 (0.41) | ALDH1A1ALOX15TSHRTRPV3TRPA1 | |
| SCHEMBL24176235 | 0.82 | TSHR (0.42) | ALDH1A1ALOX15TSHRTRPV3TRPA1 | |
| SCHEMBL22144380 | 0.82 | TSHR (0.42) | ALDH1A1ALOX15TSHRTRPV3TRPA1 | |
| SCHEMBL13661597 | 0.82 | TSHR (0.32) | ALDH1A1TSHRPKM | |
| SCHEMBL19407254 | 0.82 | TSHR (0.32) | ALDH1A1TSHRPKM | |
| SCHEMBL13118766 | 0.80 | GABBR2 (0.35) | PKM | |
| SCHEMBL7948204 | 0.79 | — | — | |
| SCHEMBL9407504 | 0.78 | — | — | |
| SCHEMBL10597697 | 0.78 | TSHR (0.36) | ALDH1A1TSHR |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1613619-A1 | QUINAZOLINE DERIVATIVES FOR TREATMENT OF CANCER | AstraZeneca AB (SE) | 2006-01-11 | — | — | EP | disclosed |
| WO-2004094410-A1 | CHEMICAL COMPOUNDS | ASTRAZENECA AB (SE) | 2004-11-04 | — | — | WO | disclosed |
| EP-1463506-A1 | SUBSTITUTED QUINAZOLINE DERIVATIVES AS INHIBITORS OF AURORA KINASES | Astrazeneca AB (SE) | 2004-10-06 | — | — | EP | disclosed |
| WO-2003055491-A1 | SUBSTITUTED QUINAZOLINE DERIVATIVES AS INHIBITORS OF AURORA KINASES | ASTRAZENECA AB (SE) | 2003-07-10 | — | — | WO | disclosed |