Predicted protein targets (top 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | LTA4H | P09960 | 2/20 | 0.49 |
| ▸ | ROCK2 | O75116 | 10/20 | 0.48 |
| ▸ | ROCK1 | Q13464 | 3/20 | 0.48 |
| ▸ | NOTUM | Q6P988 | 5/20 | 0.47 |
| ▸ | IMPDH2 | P12268 | 2/20 | 0.45 |
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 | |
|---|---|---|---|---|
| SCHEMBL2777629 | 0.90 | NOTUM (0.44) | LTA4HROCK2ROCK1NOTUMIMPDH2 | |
| SCHEMBL112926 | 0.84 | NOTUM (0.51) | LTA4HROCK2ROCK1NOTUMIMPDH2 | |
| SCHEMBL113082 | 0.81 | ROCK2 (0.52) | ROCK2ROCK1NOTUMIMPDH2 | |
| SCHEMBL112509 | 0.81 | NOTUM (0.46) | ROCK2ROCK1NOTUMIMPDH2 | |
| SCHEMBL16056718 | 0.80 | ROCK2 (0.56) | ROCK2ROCK1NOTUMIMPDH2 | |
| SCHEMBL115009 | 0.79 | ROCK2 (0.53) | ROCK2ROCK1NOTUMIMPDH2 | |
| SCHEMBL9883131 | 0.78 | ROCK2 (0.78) | ROCK2ROCK1 | |
| Hydrochloric Acid SCHEMBL112462 | 0.77 | ROCK2 (0.76) | ROCK2ROCK1 | |
| SCHEMBL114093 | 0.76 | ROCK2 (0.61) | ROCK2ROCK1 | |
| SCHEMBL15844181 | 0.75 | NOTUM (0.47) | LTA4HROCK2ROCK1NOTUMIMPDH2 |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2424857-A1 | DUAL-ACTION INHIBITORS AND METHODS OF USING SAME | Aerie Pharmaceuticals, Inc. (US) | 2012-03-07 | — | — | EP | disclosed |
| EP-2424842-A2 | DUAL MECHANISM INHIBITORS FOR THE TREATMENT OF DISEASE | Aerie Pharmaceuticals, Inc. (US) | 2012-03-07 | — | — | EP | disclosed |
| WO-2010127330-A1 | DUAL-ACTION INHIBITORS AND METHODS OF USING SAME | AERIE PHAMACEUTICALS, INC. (US) | 2010-11-04 | — | — | WO | disclosed |
| WO-2010127329-A1 | DUAL-ACTION INHIBITORS AND METHODS OF USING SAME | AERIE PHARMACEUTICALS, INC. (US) | 2010-11-04 | — | — | WO | disclosed |
| WO-2010126626-A2 | DUAL MECHANISM INHIBITORS FOR THE TREATMENT OF DISEASE | AERIE PHARMACEUTICALS, INC. (US) | 2010-11-04 | — | — | WO | disclosed |