Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ROCK1 | Q13464 | 4/20 | 0.39 |
| ▸ | GRM4 | Q14833 | 11/20 | 0.36 |
| ▸ | PLAU | P00749 | 1/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.36 |
| ▸ | TP53 | P04637 | 1/20 | 0.36 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.36 |
| ▸ | HSP90AB1 | P08238 | 1/20 | 0.36 |
| ▸ | MAPT | P10636 | 1/20 | 0.36 |
| ▸ | TSHR | P16473 | 1/20 | 0.36 |
| ▸ | CASP1 | P29466 | 1/20 | 0.36 |
| ▸ | HTT | P42858 | 1/20 | 0.36 |
| ▸ | ATM | Q13315 | 1/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.36 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.36 |
| ▸ | TRPA1 | O75762 | 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 | |
|---|---|---|---|---|
| SCHEMBL113390 | 0.79 | TRPA1 (0.43) | ROCK1GRM4PLAUKDM4EALDH1A1 | |
| SCHEMBL24168856 | 0.78 | TSHR (0.44) | GRM4TSHR | |
| SCHEMBL29824354 | 0.72 | ROCK1 (0.61) | ROCK1PLAUKDM4EALDH1A1TP53 | |
| SCHEMBL3856487 | 0.72 | ROCK1 (0.61) | ROCK1PLAUKDM4EALDH1A1TP53 | |
| SCHEMBL21981067 | 0.71 | GRM4 (0.63) | GRM4 | |
| SCHEMBL20603072 | 0.71 | GRM4 (0.63) | GRM4 | |
| SCHEMBL23077621 | 0.71 | PLAU (0.47) | ROCK1PLAUKDM4EALDH1A1TP53 | |
| SCHEMBL3068849 | 0.69 | CYP3A4 (0.43) | ROCK1GRM4PLAUKDM4EALDH1A1 | |
| SCHEMBL1096086 | 0.69 | PLAU (0.50) | ROCK1PLAUKDM4EALDH1A1TP53 | |
| SCHEMBL28145616 | 0.69 | ALDH1A1 (0.42) | ROCK1PLAUKDM4EALDH1A1TP53 |
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 3 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 |
| 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 |