Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAP3K7 | O43318 | 5/20 | 0.42 |
| ▸ | TAB1 | Q15750 | 5/20 | 0.42 |
| ▸ | DYRK1B | Q9Y463 | 3/20 | 0.40 |
| ▸ | DYRK1A | Q13627 | 2/20 | 0.39 |
| ▸ | LMNA | P02545 | 2/20 | 0.39 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.39 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.39 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.39 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.39 |
| ▸ | AXL | P30530 | 2/20 | 0.38 |
| ▸ | MEN1 | O00255 | 1/20 | 0.38 |
| ▸ | PSIP1 | O75475 | 1/20 | 0.38 |
| ▸ | MKNK1 | Q9BUB5 | 1/20 | 0.38 |
| ▸ | MKNK2 | Q9HBH9 | 1/20 | 0.38 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.36 |
| ▸ | EP300 | Q09472 | 1/20 | 0.34 |
| ▸ | KAT2B | Q92831 | 1/20 | 0.34 |
| ▸ | KAT8 | Q9H7Z6 | 1/20 | 0.34 |
| ▸ | GRM5 | P41594 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL30098534 | 0.88 | CYP2A6 (0.43) | MAP3K7TAB1LMNACYP1A2CYP3A4 | |
| SCHEMBL619829 | 0.88 | CYP2A6 (0.43) | MAP3K7TAB1LMNACYP1A2CYP3A4 | |
| SCHEMBL19628 | 0.74 | — | — | |
| SCHEMBL29455057 | 0.74 | — | — | |
| SCHEMBL31167180 | 0.73 | CYP2A6 (0.56) | DYRK1ALMNACYP1A2CYP3A4CYP2D6 | |
| SCHEMBL1006461 | 0.73 | CYP2A6 (0.56) | DYRK1ALMNACYP1A2CYP3A4CYP2D6 | |
| Hydrochloric Acid SCHEMBL2867683 | 0.72 | — | — | |
| Hydrochloric Acid SCHEMBL3365191 | 0.72 | — | — | |
| Bromide SCHEMBL30665091 | 0.72 | — | — | |
| Ammonia Solution, Strong SCHEMBL15387433 | 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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1931681-A1 | SUBSTITUTED BENZOFUSED DERIVATIVES AND THEIR USE AS VANILLOID RECEPTOR LIGANDS | Glenmark Pharmaceuticals S.A. (CH) | 2008-06-18 | — | — | EP | disclosed |
| WO-2007042906-A1 | SUBSTITUTED BENZOFUSED DERIVATIVES AND THEIR USE AS VANILLOID RECEPTOR LIGANDS | GLENMARK PHARMACEUTICALS S.A. (US) | 2007-04-19 | — | — | WO | disclosed |