Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 2/20 | 0.42 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.42 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.42 |
| ▸ | DUSP1 | P28562 | 1/20 | 0.42 |
| ▸ | DUSP6 | Q16828 | 1/20 | 0.42 |
| ▸ | TP53 | P04637 | 1/20 | 0.42 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.42 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.42 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.42 |
| ▸ | CYP19A1 | P11511 | 3/20 | 0.42 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.39 |
| ▸ | NR1H3 | Q13133 | 1/20 | 0.39 |
| ▸ | PLCG2 | P16885 | 1/20 | 0.39 |
| ▸ | MAOB | P27338 | 2/20 | 0.37 |
| ▸ | MAOA | P21397 | 1/20 | 0.37 |
| ▸ | MIF | P14174 | 1/20 | 0.36 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.36 |
| ▸ | LMNA | P02545 | 2/20 | 0.36 |
| ▸ | MAPT | P10636 | 2/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL13191828 | 0.84 | CYP1A2 (0.41) | CYP1A2CYP2C9CYP2C19DUSP1DUSP6 | |
| SCHEMBL13191831 | 0.84 | CYP1A2 (0.56) | CYP1A2CYP2C9CYP2C19DUSP1DUSP6 | |
| SCHEMBL6986961 | 0.83 | CYP19A1 (0.42) | CYP1A2CYP2C9CYP2C19DUSP1DUSP6 | |
| SCHEMBL3706106 | 0.83 | CYP19A1 (0.42) | CYP1A2CYP2C9CYP2C19DUSP1DUSP6 | |
| SCHEMBL3706107 | 0.83 | CYP19A1 (0.42) | CYP1A2CYP2C9CYP2C19DUSP1DUSP6 | |
| SCHEMBL13191830 | 0.81 | CYP1A2 (0.45) | CYP1A2CYP2C9CYP2C19DUSP1DUSP6 | |
| SCHEMBL13192026 | 0.81 | MAOB (0.46) | CYP1A2CYP2C9CYP2C19DUSP1DUSP6 | |
| SCHEMBL13191829 | 0.78 | NPSR1 (0.57) | CYP1A2CYP2C9CYP2C19DUSP1DUSP6 | |
| SCHEMBL6987364 | 0.77 | DUSP1 (0.77) | CYP1A2CYP2C9CYP2C19DUSP1DUSP6 | |
| SCHEMBL13191827 | 0.75 | IGF1R (0.40) | CYP1A2CYP2C9CYP2C19DUSP1DUSP6 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2010108058-A2 | SMALL MOLECULE INHIBITORS OF DUSP6 AND USES THEREFOR | UNIVERSITY OF PITTSBURGH-OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION (US) | 2010-09-23 | — | — | WO | disclosed |