Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2D6 | P10635 | 4/20 | 0.60 |
| ▸ | CYP2C19 | P33261 | 3/20 | 0.60 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.39 |
| ▸ | CACNA2D1 | P54289 | 2/20 | 0.35 |
| ▸ | CACNB3 | P54284 | 1/20 | 0.35 |
| ▸ | CACNA1C | Q13936 | 1/20 | 0.35 |
| ▸ | PGR | P06401 | 1/20 | 0.35 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.35 |
| ▸ | HTR2B | P41595 | 1/20 | 0.35 |
| ▸ | CACNA2D2 | Q9NY47 | 1/20 | 0.35 |
| ▸ | S100A4 | P26447 | 1/20 | 0.32 |
| ▸ | CDC25B | P30305 | 1/20 | 0.32 |
| ▸ | TSHR | P16473 | 2/20 | 0.32 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.32 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.32 |
| ▸ | THPO | P40225 | 1/20 | 0.32 |
| ▸ | GMNN | O75496 | 2/20 | 0.31 |
| ▸ | MAPT | P10636 | 2/20 | 0.31 |
| ▸ | TP53 | P04637 | 1/20 | 0.31 |
| ▸ | POLB | P06746 | 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 | |
|---|---|---|---|---|
| SCHEMBL13130749 | 0.78 | CYP2D6 (0.32) | CYP2D6CYP2C19TSHRCYP3A4NFKB1 | |
| Ethylene SCHEMBL28577445 | 0.78 | CYP2D6 (0.86) | CYP2D6CYP2C19HIF1ATSHRCYP3A4 | |
| SCHEMBL298385 | 0.78 | CYP2D6 (1.00) | CYP2D6CYP2C19HIF1ATSHRCYP3A4 | |
| SCHEMBL2203031 | 0.77 | — | — | |
| Ammonia Solution, Strong SCHEMBL27893881 | 0.74 | CYP2D6 (0.92) | CYP2D6CYP2C19HIF1ATSHRCYP3A4 | |
| Hydrochloric Acid SCHEMBL11150442 | 0.74 | CYP2D6 (0.92) | CYP2D6CYP2C19HIF1ATSHRCYP3A4 | |
| SCHEMBL576278 | 0.74 | TSHR (0.47) | CYP2D6TSHRCYP3A4NFKB1THPO | |
| SCHEMBL10942220 | 0.74 | TSHR (0.47) | CYP2D6TSHRCYP3A4NFKB1THPO | |
| SCHEMBL12660173 | 0.73 | CYP2C19 (0.50) | CYP2D6CYP2C19HIF1AS100A4CDC25B | |
| SCHEMBL6584919 | 0.72 | — | — |
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-1000039-B1 | SUBSTITUTED QUINAZOLINE DERIVATIVES AND THEIR USE AS TYROSINE KINASE INHIBITORS | WYETH CORP (US) | 2004-06-09 | — | — | EP | disclosed |
| US-6251912-B1 | Substituted quinazoline derivatives | AMERICAN CYANAMID COMPANY | 2001-06-26 | — | — | US | disclosed |
| EP-1000039-A1 | SUBSTITUTED QUINAZOLINE DERIVATIVES AND THEIR USE AS TYROSINE KINASE INHIBITORS | American Cyanamid Company (US) | 2000-05-17 | — | — | EP | disclosed |
| WO-1999009016-A1 | SUBSTITUTED QUINAZOLINE DERIVATIVES AND THEIR USE AS TYROSINE KINASE INHIBITORS | AMERICAN CYANAMID COMPANY (US) | 1999-02-25 | — | — | WO | disclosed |