Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 3/20 | 0.34 |
| ▸ | CYP2D6 | P10635 | 3/20 | 0.34 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.34 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.34 |
| ▸ | TSHR | P16473 | 2/20 | 0.33 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.33 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.30 |
| ▸ | HSD17B10 | Q99714 | 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 | |
|---|---|---|---|---|
| SCHEMBL12493061 | 0.65 | CHRNB2 (0.31) | — | |
| Hydrochloric Acid SCHEMBL10912090 | 0.63 | — | — | |
| SCHEMBL2723936 | 0.63 | CHRNB2 (0.31) | — | |
| SCHEMBL4874913 | 0.61 | — | — | |
| SCHEMBL24179852 | 0.59 | CYP3A4 (0.39) | CYP3A4CYP2D6CYP1A2CYP2C19TSHR | |
| SCHEMBL7654723 | 0.58 | SLC6A2 (0.50) | CYP3A4CYP2D6CYP1A2CYP2C19TSHR | |
| SCHEMBL9294530 | 0.58 | SLC6A2 (0.50) | CYP3A4CYP2D6CYP1A2CYP2C19TSHR | |
| SCHEMBL27298881 | 0.58 | SLC6A2 (0.50) | CYP3A4CYP2D6CYP1A2CYP2C19TSHR | |
| SCHEMBL8494369 | 0.56 | CHRM2 (0.48) | CYP3A4CYP2D6CYP1A2CYP2C19TSHR | |
| SCHEMBL974399 | 0.56 | CHRM2 (0.48) | CYP3A4CYP2D6CYP1A2CYP2C19TSHR |
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-2496559-A1 | ARYL- AND HETEROARYLCARBONYL DERIVATIVES OF HEXAHYDROINDENOPYRIDINE AND OCTAHYDROBENZOQUINOLINE | Vitae Pharmaceuticals, Inc. (US) | 2012-09-12 | — | — | EP | disclosed |
| WO-2011057054-A1 | ARYL- AND HETEROARYLCARBONYL DERIVATIVES OF HEXAHYDROINDENOPYRIDINE AND OCTAHYDROBENZOQUINOLINE | VITAE PHARMACEUTICALS, INC. (US) | 2011-05-12 | — | — | WO | disclosed |