Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2D6 | P10635 | 12/20 | 0.70 |
| ▸ | CYP3A4 | P08684 | 10/20 | 0.70 |
| ▸ | TSHR | P16473 | 4/20 | 0.70 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.64 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.64 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.64 |
| ▸ | USP2 | O75604 | 2/20 | 0.62 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.62 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.62 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.60 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.58 |
| ▸ | HPGD | P15428 | 1/20 | 0.58 |
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 | |
|---|---|---|---|---|
| SCHEMBL4927933 | 0.93 | CYP2D6 (0.69) | CYP2D6CYP3A4TSHRCYP2C19USP2 | |
| SCHEMBL2381838 | 0.91 | CYP2D6 (0.67) | CYP2D6CYP3A4TSHRCYP1A2CYP2C9 | |
| SCHEMBL16431003 | 0.86 | CYP2D6 (0.78) | CYP2D6CYP3A4TSHRCYP2C9CYP2C19 | |
| SCHEMBL25809331 | 0.86 | CYP2D6 (0.64) | CYP2D6CYP3A4TSHRCYP1A2CYP2C9 | |
| SCHEMBL5243003 | 0.86 | CYP2D6 (0.67) | CYP2D6CYP3A4TSHRCYP1A2CYP2C9 | |
| SCHEMBL23968815 | 0.84 | CYP2D6 (0.87) | CYP2D6CYP3A4TSHRCYP1A2CYP2C9 | |
| SCHEMBL9851657 | 0.84 | CYP2D6 (0.81) | CYP2D6CYP3A4TSHRCYP1A2CYP2C9 | |
| SCHEMBL1426231 | 0.82 | CYP2D6 (0.64) | CYP2D6CYP3A4TSHRCYP1A2CYP2C9 | |
| SCHEMBL14934445 | 0.82 | CYP2D6 (0.67) | CYP2D6CYP3A4TSHRCYP1A2CYP2C9 | |
| SCHEMBL16600547 | 0.81 | CYP2D6 (0.66) | CYP2D6CYP3A4TSHRCYP2C19USP2 |
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-3405183-A1 | ADAMATANE DERIVATIVES FOR THE TREATMENT OF FILOVIRUS INFECTION | Arisan Therapeutics Inc. (US) | 2018-11-28 | — | — | EP | disclosed |
| WO-2017127306-A1 | ADAMATANE DERIVATIVES FOR THE TREATMENT OF FILOVIRUS INFECTION | ARISAN THERAPEUTICS (US) | 2017-07-27 | — | — | WO | disclosed |
| EP-1910374-A1 | AZACYCLIC COMPOUNDS AS INHIBITORS OF SENSORY NEURONE SPECIFIC SODIUM CHANNELS | Vernalis (R&D) Limited (GB) | 2008-04-16 | — | — | EP | disclosed |
| WO-2007007069-A1 | AZACYCLIC COMPOUNDS AS INHIBITORS OF SENSORY NEURONE SPECIFIC SODIUM CHANNELS | VERNALIS (R & D) LIMITED (GB) | 2007-01-18 | — | — | WO | disclosed |