Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 3/20 | 0.50 |
| ▸ | GABRA1 | P14867 | 1/20 | 0.34 |
| ▸ | GABRB2 | P47870 | 1/20 | 0.34 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.32 |
| ▸ | CES2 | O00748 | 1/20 | 0.31 |
| ▸ | CES1 | P23141 | 1/20 | 0.31 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.31 |
| ▸ | HPGD | P15428 | 1/20 | 0.31 |
| ▸ | TDP1 | Q9NUW8 | 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 | |
|---|---|---|---|---|
| SCHEMBL29662014 | 0.79 | CYP3A4 (0.54) | CYP3A4GABRA1GABRB2TRPA1CES2 | |
| SCHEMBL1595410 | 0.79 | CYP3A4 (0.54) | CYP3A4GABRA1GABRB2TRPA1CES2 | |
| SCHEMBL93162 | 0.79 | CYP3A4 (0.52) | CYP3A4GABRA1GABRB2TRPA1CES2 | |
| SCHEMBL29536872 | 0.79 | CYP3A4 (0.52) | CYP3A4GABRA1GABRB2TRPA1CES2 | |
| SCHEMBL30625397 | 0.78 | CYP3A4 (0.52) | CYP3A4GABRA1GABRB2TRPA1CES2 | |
| SCHEMBL9630070 | 0.78 | CYP3A4 (0.52) | CYP3A4GABRA1GABRB2TRPA1CES2 | |
| SCHEMBL12580527 | 0.77 | CES2 (0.34) | CES2CES1 | |
| SCHEMBL28210896 | 0.76 | CYP3A4 (0.60) | CYP3A4GABRA1GABRB2TRPA1ALDH1A1 | |
| SCHEMBL3397305 | 0.76 | CYP3A4 (0.50) | CYP3A4GABRA1GABRB2TRPA1ALDH1A1 | |
| SCHEMBL3399670 | 0.76 | CYP3A4 (0.61) | CYP3A4GABRA1GABRB2TRPA1ALDH1A1 |
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-2170834-B1 | INDAZOLES, BENZISOXAZOLES AND BENZISOTHIAZOLES AS INHIBITORS OF PROTEIN KINASES | ABBVIE INC (US) | 2014-01-08 | — | — | EP | disclosed |
| EP-2246333-B1 | Indazole, benzisoxazole, and benzisothiazole kinase inhibitors | ABBOTT LAB (US) | 2012-10-24 | — | — | EP | disclosed |
| EP-2150553-B1 | CONDENSED HETEROCYCLIC COMPOUNDS AS INHIBITORS OF PROTEIN KINASES | ABBOTT LAB (US) | 2011-10-05 | — | — | EP | disclosed |
| EP-2246333-A1 | Indazole, benzisoxazole, and benzisothiazole kinase inhibitors | Abbott Laboratories (US) | 2010-11-03 | — | — | EP | disclosed |