Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ROCK2 | O75116 | 1/20 | 0.42 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.42 |
| ▸ | CYP3A5 | P20815 | 1/20 | 0.42 |
| ▸ | F10 | P00742 | 15/20 | 0.40 |
| ▸ | F2 | P00734 | 10/20 | 0.40 |
| ▸ | PRSS1 | P07477 | 9/20 | 0.39 |
| ▸ | F7 | P08709 | 1/20 | 0.36 |
| ▸ | F3 | P13726 | 1/20 | 0.36 |
| ▸ | PRSS2 | P07478 | 1/20 | 0.35 |
| ▸ | PRSS3 | P35030 | 1/20 | 0.35 |
| ▸ | KLK5 | Q9Y337 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL6993652 | 0.89 | ROCK2 (0.42) | ROCK2CYP3A4CYP3A5F10F2 | |
| SCHEMBL7082128 | 0.84 | F10 (0.44) | ROCK2CYP3A4CYP3A5F10F2 | |
| SCHEMBL6995249 | 0.83 | F10 (0.57) | F10F2PRSS1PRSS2PRSS3 | |
| SCHEMBL6988979 | 0.82 | F10 (0.49) | F10F2PRSS1PRSS2PRSS3 | |
| SCHEMBL7078142 | 0.77 | ROCK2 (0.46) | ROCK2CYP3A4CYP3A5F10F2 | |
| SCHEMBL7084061 | 0.76 | ROCK2 (0.45) | ROCK2CYP3A4CYP3A5F10F2 | |
| SCHEMBL7076661 | 0.75 | F10 (0.43) | ROCK2CYP3A4CYP3A5F10F2 | |
| SCHEMBL7081339 | 0.74 | F10 (0.44) | ROCK2CYP3A4CYP3A5F10F2 | |
| SCHEMBL7078123 | 0.74 | ROCK2 (0.44) | ROCK2CYP3A4CYP3A5F10F2 | |
| SCHEMBL6990880 | 0.74 | F10 (0.47) | F10F2PRSS1PRSS2PRSS3 |
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-1303482-A2 | N-SUBSTITUTED-1-AMINO-1,1-DIALKYLCARBOXYLIC ACID DERIVATIVES | MERCK PATENT GmbH (DE) | 2003-04-23 | — | — | EP | disclosed |
| WO-2002008177-A2 | N-SUBSTITUTED-1-AMINO-1,1-DIALKYLCARBOXYLIC ACID DERIVATIVES | MERCK PATENT GMBH (DE) | 2002-01-31 | — | — | WO | disclosed |