Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 2/20 | 0.50 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.50 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.50 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.50 |
| ▸ | RECQL | P46063 | 2/20 | 0.47 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.47 |
| ▸ | MMP8 | P22894 | 4/20 | 0.46 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.46 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.46 |
| ▸ | LMNA | P02545 | 1/20 | 0.46 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.44 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.44 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.44 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.44 |
| ▸ | NPC1 | O15118 | 1/20 | 0.44 |
| ▸ | MAPT | P10636 | 1/20 | 0.44 |
| ▸ | RAB9A | P51151 | 1/20 | 0.44 |
| ▸ | RIPK1 | Q13546 | 1/20 | 0.41 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.41 |
| ▸ | TSHR | P16473 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL5948337 | 0.81 | CYP3A4 (0.67) | CYP3A4ALDH1A1CYP2C9CYP2C19RECQL | |
| SCHEMBL4073210 | 0.77 | CYP3A4 (0.46) | CYP3A4ALDH1A1CYP2C9CYP2C19RECQL | |
| SCHEMBL1273081 | 0.77 | CYP3A4 (0.46) | CYP3A4ALDH1A1CYP2C9CYP2C19RECQL | |
| SCHEMBL16162058 | 0.76 | CYP3A4 (0.49) | CYP3A4ALDH1A1CYP2C9CYP2C19RECQL | |
| SCHEMBL4025551 | 0.76 | CYP3A4 (0.49) | CYP3A4ALDH1A1CYP2C9CYP2C19RECQL | |
| SCHEMBL4583207 | 0.76 | CYP3A4 (0.50) | CYP3A4ALDH1A1CYP2C9CYP2C19RECQL | |
| SCHEMBL1273122 | 0.76 | CYP3A4 (0.49) | CYP3A4ALDH1A1CYP2C9CYP2C19RECQL | |
| SCHEMBL3595349 | 0.75 | CYP3A4 (0.51) | CYP3A4ALDH1A1CYP2C9CYP2C19RECQL | |
| SCHEMBL4027524 | 0.75 | CYP3A4 (0.53) | CYP3A4ALDH1A1CYP2C9CYP2C19RECQL | |
| SCHEMBL2025506 | 0.75 | CYP3A4 (0.47) | CYP3A4ALDH1A1CYP2C9CYP2C19RECQL |
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-2362775-A1 | CHEMICAL COMPOUNDS | GlaxoSmithKline LLC (US) | 2011-09-07 | — | — | EP | disclosed |
| WO-2010059658-A1 | CHEMICAL COMPOUNDS | GLAXOSMITHKLINE LLC (US) | 2010-05-27 | — | — | WO | disclosed |