Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 3/20 | 0.50 |
| ▸ | TDP1 | Q9NUW8 | 3/20 | 0.38 |
| ▸ | GABRA1 | P14867 | 1/20 | 0.38 |
| ▸ | GABRB2 | P47870 | 1/20 | 0.38 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.38 |
| ▸ | HTR3E | A5X5Y0 | 1/20 | 0.35 |
| ▸ | HTR3B | O95264 | 1/20 | 0.35 |
| ▸ | HTR3A | P46098 | 1/20 | 0.35 |
| ▸ | HTR3D | Q70Z44 | 1/20 | 0.35 |
| ▸ | HTR3C | Q8WXA8 | 1/20 | 0.35 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.31 |
| ▸ | MEN1 | O00255 | 1/20 | 0.31 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.31 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.31 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.31 |
| ▸ | HPGD | P15428 | 1/20 | 0.31 |
| ▸ | S100B | P04271 | 1/20 | 0.30 |
| ▸ | ITGB3 | P05106 | 1/20 | 0.30 |
| ▸ | ITGAV | P06756 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL29862583 | 0.79 | CYP3A4 (0.54) | CYP3A4TDP1GABRA1GABRB2MAPK1 | |
| SCHEMBL93182 | 0.79 | CYP3A4 (0.54) | CYP3A4TDP1GABRA1GABRB2MAPK1 | |
| SCHEMBL93270 | 0.79 | CYP3A4 (0.52) | CYP3A4TDP1GABRA1GABRB2MAPK1 | |
| SCHEMBL29537333 | 0.79 | CYP3A4 (0.52) | CYP3A4TDP1GABRA1GABRB2MAPK1 | |
| Ammonia Solution, Strong SCHEMBL28180433 | 0.78 | CYP3A4 (0.52) | CYP3A4TDP1GABRA1GABRB2MAPK1 | |
| SCHEMBL462306 | 0.78 | CYP3A4 (0.52) | CYP3A4TDP1GABRA1GABRB2MAPK1 | |
| Hydrochloric Acid SCHEMBL9078906 | 0.77 | CYP3A4 (0.50) | CYP3A4TDP1GABRA1GABRB2MAPK1 | |
| Methane SCHEMBL27995664 | 0.77 | CYP3A4 (0.50) | CYP3A4TDP1GABRA1GABRB2MAPK1 | |
| Hydrochloric Acid SCHEMBL9078903 | 0.77 | CYP3A4 (0.50) | CYP3A4TDP1GABRA1GABRB2MAPK1 | |
| SCHEMBL58545 | 0.76 | CYP3A4 (0.60) | CYP3A4TDP1GABRA1GABRB2MAPK1 |
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-2254889-A1 | PROTEIN KINASE INHIBITORS AND USE THEREOF | Merck Patent GmbH (DE) | 2010-12-01 | — | — | EP | disclosed |
| EP-2244574-A1 | TRICYCLIC COMPOUNDS AS MODULATORS OF TNF- SYNTHESIS AND AS PDE4 INHIBITORS | High Point Pharmaceuticals, LLC (US) | 2010-11-03 | — | — | EP | disclosed |
| WO-2009108670-A1 | PROTEIN KINASE INHIBITORS AND USE THEREOF | MERCK SERONO S.A. (CH) | 2009-09-03 | — | — | WO | disclosed |
| WO-2009094528-A1 | TRICYCLIC COMPOUNDS AS MODULATORS OF TNF-α SYNTHESIS AND AS PDE4 INHIBITORS | HIGH POINT PHARMACEUTICALS, LLC (US) | 2009-07-30 | — | — | WO | disclosed |