Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 7/20 | 0.65 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.65 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.65 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.65 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.65 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.65 |
| ▸ | L3MBTL1 | Q9Y468 | 3/20 | 0.64 |
| ▸ | TDP1 | Q9NUW8 | 3/20 | 0.64 |
| ▸ | MEN1 | O00255 | 3/20 | 0.64 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.64 |
| ▸ | ALOX12 | P18054 | 2/20 | 0.64 |
| ▸ | HTT | P42858 | 2/20 | 0.64 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.64 |
| ▸ | GPR55 | Q9Y2T6 | 1/20 | 0.64 |
| ▸ | LMNA | P02545 | 3/20 | 0.56 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.56 |
| ▸ | HPGD | P15428 | 1/20 | 0.56 |
| ▸ | CCR6 | P51684 | 1/20 | 0.56 |
| ▸ | TP53 | P04637 | 1/20 | 0.55 |
| ▸ | GAA | P10253 | 1/20 | 0.55 |
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 | |
|---|---|---|---|---|
| SCHEMBL165611 | 0.89 | ALDH1A1 (0.72) | ALDH1A1CYP1A2CYP3A4CYP2D6CYP2C9 | |
| SCHEMBL168734 | 0.84 | ALDH1A1 (0.69) | ALDH1A1CYP1A2CYP3A4CYP2D6CYP2C9 | |
| SCHEMBL12467306 | 0.84 | ALDH1A1 (0.72) | ALDH1A1CYP1A2CYP3A4CYP2D6CYP2C9 | |
| SCHEMBL167878 | 0.84 | ALDH1A1 (0.67) | ALDH1A1CYP1A2CYP3A4CYP2D6CYP2C9 | |
| SCHEMBL256654 | 0.84 | ALDH1A1 (0.67) | ALDH1A1CYP1A2CYP3A4CYP2D6CYP2C9 | |
| SCHEMBL168039 | 0.84 | ALDH1A1 (0.67) | ALDH1A1CYP1A2CYP3A4CYP2D6CYP2C9 | |
| SCHEMBL168699 | 0.83 | ALDH1A1 (0.90) | ALDH1A1CYP1A2CYP3A4CYP2D6CYP2C9 | |
| SCHEMBL168012 | 0.83 | ALDH1A1 (0.69) | ALDH1A1CYP1A2CYP3A4CYP2D6CYP2C9 | |
| SCHEMBL168590 | 0.81 | ALDH1A1 (0.64) | ALDH1A1CYP1A2CYP3A4CYP2D6CYP2C9 | |
| SCHEMBL2153243 | 0.78 | ALDH1A1 (1.00) | ALDH1A1CYP1A2CYP3A4CYP2D6CYP2C9 |
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-2012027965-A1 | NOVEL COMPOUNDS | GLAXO GROUP LIMITED (GB) | 2012-03-08 | — | — | WO | disclosed |
| WO-2012027965-A1 | NOVEL COMPOUNDS | GLAXO GROUP LIMITED (GB) | 2012-03-08 | — | — | WO | disclosed |