Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AKT1 | P31749 | 2/20 | 0.35 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.35 |
| ▸ | EPAS1 | Q99814 | 1/20 | 0.35 |
| ▸ | ROCK2 | O75116 | 2/20 | 0.35 |
| ▸ | ROCK1 | Q13464 | 1/20 | 0.35 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.34 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.34 |
| ▸ | EPHX2 | P34913 | 3/20 | 0.34 |
| ▸ | HDAC3 | O15379 | 5/20 | 0.34 |
| ▸ | HDAC2 | Q92769 | 5/20 | 0.34 |
| ▸ | GRM4 | Q14833 | 1/20 | 0.34 |
| ▸ | CNR1 | P21554 | 1/20 | 0.34 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.34 |
| ▸ | PDCD1 | Q15116 | 1/20 | 0.33 |
| ▸ | CD274 | Q9NZQ7 | 1/20 | 0.33 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.33 |
| ▸ | POLB | P06746 | 1/20 | 0.33 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.33 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.33 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL1497007 | 0.96 | ROCK2 (0.37) | AKT1HIF1AEPAS1ROCK2EPHX2 | |
| SCHEMBL1496935 | 0.93 | UTS2R (0.38) | AKT1ROCK2ROCK1HDAC3HDAC2 | |
| SCHEMBL1496936 | 0.92 | CYP1A2 (0.38) | AKT1HDAC3HDAC2CNR1CYP1A2 | |
| SCHEMBL4233251 | 0.89 | HDAC1 (0.39) | AKT1ROCK2EPHX2HDAC3HDAC2 | |
| SCHEMBL1497031 | 0.89 | AKT1 (0.35) | AKT1ROCK2ROCK1CYP1A2CYP2C19 | |
| SCHEMBL4222628 | 0.87 | HDAC1 (0.38) | EPHX2HDAC3HDAC2CYP1A2POLB | |
| SCHEMBL1496855 | 0.86 | CD274 (0.40) | HIF1AEPAS1ROCK2ROCK1CYP2D6 | |
| SCHEMBL1497166 | 0.84 | ALDH1A1 (0.41) | HIF1AHDAC3HDAC2POLBHDAC1 | |
| SCHEMBL1496958 | 0.83 | CD274 (0.39) | EPHX2CD274HTR2AHTR2C | |
| SCHEMBL1482305 | 0.81 | UTS2R (0.43) | ROCK2ROCK1HDAC2 |
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-2292611-B1 | NOVEL THIOPHENEDIAMINE DERIVATIVE HAVING UREA STRUCTURE | SANTEN PHARMACEUTICAL CO LTD (JP) | 2012-07-25 | — | — | EP | disclosed |
| EP-2292611-A1 | NOVEL THIOPHENEDIAMINE DERIVATIVE HAVING UREA STRUCTURE | Santen Pharmaceutical Co., Ltd (JP) | 2011-03-09 | — | — | EP | disclosed |