Predicted protein targets (top 6)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | F10 | P00742 | 18/20 | 0.57 |
| ▸ | F2 | P00734 | 5/20 | 0.57 |
| ▸ | PRSS1 | P07477 | 7/20 | 0.56 |
| ▸ | PRSS2 | P07478 | 3/20 | 0.56 |
| ▸ | PRSS3 | P35030 | 3/20 | 0.56 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.53 |
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 | |
|---|---|---|---|---|
| Trifluoroacetic Acid SCHEMBL7081758 | 0.94 | PRSS1 (0.59) | F10F2PRSS1PRSS2PRSS3 | |
| SCHEMBL6995434 | 0.92 | F10 (0.64) | F10F2PRSS1PRSS2PRSS3 | |
| SCHEMBL6993126 | 0.89 | F10 (0.52) | F10F2PRSS1PRSS2PRSS3 | |
| Acetic Acid SCHEMBL7080775 | 0.89 | F10 (0.64) | F10F2PRSS1PRSS2PRSS3 | |
| SCHEMBL6989257 | 0.89 | F10 (0.46) | F10F2PRSS1PRSS2PRSS3 | |
| Acetic Acid SCHEMBL7080812 | 0.87 | F10 (0.51) | F10F2PRSS1PRSS2PRSS3 | |
| Trifluoroacetic Acid SCHEMBL7084785 | 0.84 | PRSS1 (0.47) | F10F2PRSS1PRSS2PRSS3 | |
| SCHEMBL6997959 | 0.82 | F10 (0.52) | F10F2PRSS1PRSS2PRSS3 | |
| SCHEMBL6224992 | 0.81 | F10 (0.56) | F10F2PRSS1PRSS2PRSS3 | |
| SCHEMBL7076844 | 0.81 | 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 |