Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SCN9A | Q15858 | 1/20 | 0.40 |
| ▸ | MC4R | P32245 | 1/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.37 |
| ▸ | GAA | P10253 | 1/20 | 0.37 |
| ▸ | MAPT | P10636 | 1/20 | 0.37 |
| ▸ | PKM | P14618 | 1/20 | 0.37 |
| ▸ | HPGD | P15428 | 1/20 | 0.37 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.37 |
| ▸ | CTSL | P07711 | 1/20 | 0.36 |
| ▸ | PPARG | P37231 | 1/20 | 0.35 |
| ▸ | PPARA | Q07869 | 1/20 | 0.35 |
| ▸ | ACE | P12821 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL5563362 | 0.94 | MC4R (0.42) | SCN9AMC4RKDM4EALDH1A1GAA | |
| SCHEMBL7668349 | 0.94 | MC4R (0.42) | SCN9AMC4RKDM4EALDH1A1GAA | |
| 2,2,2-Trifluoroethanaminium SCHEMBL8213280 | 0.93 | SCN9A (0.40) | SCN9AMC4RKDM4EALDH1A1GAA | |
| Trifluoroacetamide SCHEMBL8207815 | 0.88 | SCN9A (0.35) | SCN9AACE | |
| SCHEMBL5563656 | 0.87 | MC4R (0.41) | SCN9AMC4RKDM4EALDH1A1GAA | |
| SCHEMBL5563441 | 0.86 | MC4R (0.41) | SCN9AMC4RKDM4EALDH1A1GAA | |
| SCHEMBL5568361 | 0.85 | ACE (0.40) | ACE | |
| SCHEMBL5568442 | 0.83 | SCN9A (0.37) | SCN9AACE | |
| SCHEMBL5563792 | 0.83 | SCN9A (0.37) | SCN9AACE | |
| Trifluoroacetamide SCHEMBL8210338 | 0.83 | ACE (0.39) | SCN9AMC4RACE |
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-1042288-A1 | TRIPEPTIDYL PEPTIDASE INHIBITORS | INSTITUT NATIONAL DE LA SANTE ET DE LA RECHERCHE MEDICALE (INSERM) (FR) | 2000-10-11 | — | — | EP | disclosed |
| WO-1999033801-A1 | TRIPEPTIDYL PEPTIDASE INHIBITORS | INSTITUT NATIONAL DE LA SANTE ET DE LA RECHERCHE MEDICALE (INSERM) (FR) | 1999-07-08 | — | — | WO | disclosed |