Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 2/20 | 0.48 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.48 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.48 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.48 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.48 |
| ▸ | CA12 | O43570 | 1/20 | 0.47 |
| ▸ | CA1 | P00915 | 1/20 | 0.47 |
| ▸ | CA2 | P00918 | 1/20 | 0.47 |
| ▸ | CA9 | Q16790 | 1/20 | 0.47 |
| ▸ | TBXAS1 | P24557 | 1/20 | 0.46 |
| ▸ | QPCT | Q16769 | 8/20 | 0.46 |
| ▸ | GAA | P10253 | 1/20 | 0.45 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.45 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.44 |
| ▸ | SOD1 | P00441 | 2/20 | 0.44 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.43 |
| ▸ | NPC1 | O15118 | 1/20 | 0.43 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.42 |
| ▸ | MEN1 | O00255 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL19786259 | 0.78 | TBXAS1 (0.68) | CYP1A2CYP3A4CYP2D6CYP2C9HSD17B10 | |
| SCHEMBL6394030 | 0.76 | QPCT (0.53) | CYP1A2CYP3A4CYP2D6CYP2C9HSD17B10 | |
| SCHEMBL2299318 | 0.73 | TBXAS1 (0.45) | TBXAS1ALDH1A1 | |
| SCHEMBL14416018 | 0.72 | QPCT (0.59) | CYP1A2CYP3A4CYP2D6CYP2C9HSD17B10 | |
| SCHEMBL8365568 | 0.72 | TBXAS1 (0.59) | CYP1A2CYP3A4CYP2D6CYP2C9HSD17B10 | |
| SCHEMBL20472308 | 0.71 | ACHE (0.47) | TBXAS1QPCTGAAKMT2A | |
| SCHEMBL5878941 | 0.71 | TBXAS1 (0.63) | CYP1A2CYP3A4CYP2D6CYP2C9HSD17B10 | |
| SCHEMBL6342186 | 0.70 | QPCT (0.53) | CYP1A2CYP3A4CYP2D6CYP2C9HSD17B10 | |
| Hydrochloric Acid SCHEMBL20471761 | 0.70 | ACHE (0.46) | TBXAS1QPCTGAA | |
| SCHEMBL13256613 | 0.70 | QPCT (0.65) | CYP1A2CYP3A4CYP2D6CYP2C9HSD17B10 |
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 |
|---|---|---|---|---|---|---|---|
| US-7999006-B2 | Anticancer agents; mitogen-activated protein kinases (MEK) | EXELIXIS, INC. (US) | 2011-08-16 | — | — | US | claimed |