Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 1/20 | 0.40 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.40 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.38 |
| ▸ | CTSL | P07711 | 1/20 | 0.38 |
| ▸ | NPC1 | O15118 | 1/20 | 0.38 |
| ▸ | RAB9A | P51151 | 1/20 | 0.38 |
| ▸ | TSHR | P16473 | 1/20 | 0.38 |
| ▸ | SYK | P43405 | 1/20 | 0.38 |
| ▸ | GAA | P10253 | 1/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.37 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.37 |
| ▸ | FKBP1A | P62942 | 1/20 | 0.37 |
| ▸ | AGTR2 | P50052 | 1/20 | 0.36 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL1806227 | 0.90 | SMN1; SMN2 (0.45) | CYP3A4CYP2C9CYP2C19ALDH1A1SMN1; SMN2 | |
| SCHEMBL1534178 | 0.84 | CYP3A4 (0.39) | CYP3A4CYP2C9CYP2C19ALDH1A1SMN1; SMN2 | |
| SCHEMBL18281695 | 0.82 | KMT2A (0.43) | CYP3A4CYP2C9CYP2C19ALDH1A1SMN1; SMN2 | |
| SCHEMBL14842677 | 0.80 | CTSL (0.37) | CYP3A4CYP2C9CYP2C19ALDH1A1SMN1; SMN2 | |
| SCHEMBL14842603 | 0.79 | ALDH1A1 (0.36) | CYP3A4CYP2C9CYP2C19ALDH1A1SMN1; SMN2 | |
| SCHEMBL6285067 | 0.79 | CPB1 (0.44) | CYP3A4CYP2C9CYP2C19ALDH1A1SMN1; SMN2 | |
| SCHEMBL15665799 | 0.78 | ALDH1A1 (0.44) | CYP3A4CYP2C9CYP2C19ALDH1A1SMN1; SMN2 | |
| SCHEMBL15665561 | 0.78 | ALDH1A1 (0.44) | CYP3A4CYP2C9CYP2C19ALDH1A1SMN1; SMN2 | |
| SCHEMBL3295119 | 0.75 | CYP2C19 (0.45) | CYP3A4CYP2C9CYP2C19ALDH1A1SMN1; SMN2 | |
| SCHEMBL14842868 | 0.75 | CYP3A4 (0.47) | CYP3A4CYP2C9CYP2C19ALDH1A1SMN1; SMN2 |
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-2421855-A1 | DIARYL ETHERS | Tibotec Pharmaceuticals (IE) | 2012-02-29 | — | — | EP | disclosed |
| WO-2010122162-A1 | DIARYL ETHERS | TIBOTEC PHARMACEUTICALS (IE) | 2010-10-28 | — | — | WO | disclosed |