Predicted protein targets (top 6)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAPK1 | P28482 | 1/20 | 0.52 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.52 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.48 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.48 |
| ▸ | TSHR | P16473 | 1/20 | 0.45 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL16588404 | 0.83 | CYP3A4 (0.60) | MAPK1TDP1CYP3A4TRPA1TSHR | |
| SCHEMBL18473972 | 0.81 | CYP3A4 (0.58) | MAPK1TDP1CYP3A4TRPA1TSHR | |
| SCHEMBL9859314 | 0.81 | MAPK1 (0.68) | MAPK1TDP1CYP3A4TRPA1TSHR | |
| SCHEMBL15620862 | 0.81 | MAPK1 (0.47) | MAPK1TDP1CYP3A4TRPA1TSHR | |
| SCHEMBL29675170 | 0.81 | CYP3A4 (0.63) | MAPK1TDP1CYP3A4TRPA1TSHR | |
| SCHEMBL9859656 | 0.81 | MAPK1 (0.47) | MAPK1TDP1CYP3A4TRPA1TSHR | |
| SCHEMBL9859024 | 0.77 | MAPK1 (0.43) | MAPK1TDP1CYP3A4TRPA1TSHR | |
| SCHEMBL16432114 | 0.77 | CYP3A4 (0.44) | MAPK1TDP1CYP3A4TRPA1TSHR | |
| SCHEMBL19170894 | 0.75 | TDP1 (0.42) | MAPK1TDP1CYP3A4TRPA1TSHR | |
| SCHEMBL15430 | 0.74 | CYP3A4 (0.70) | MAPK1TDP1CYP3A4TRPA1TSHR |
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 |
|---|---|---|---|---|---|---|---|
| WO-2014047330-A1 | NOVEL RAF KINASE INHIBITORS | VERNIER JEAN-MICHEL (US) | 2014-03-27 | — | — | WO | disclosed |
| WO-2011075537-A1 | COMPOUNDS FOR THE TREATMENT OF NEUROLOGIC DISORDERS | NEUROP, INC. (US) | 2011-06-23 | — | — | WO | disclosed |