Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ECE1 | P42892 | 1/20 | 0.41 |
| ▸ | AGTR2 | P50052 | 3/20 | 0.38 |
| ▸ | MMP2 | P08253 | 1/20 | 0.38 |
| ▸ | L3MBTL1 | Q9Y468 | 3/20 | 0.37 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.37 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.37 |
| ▸ | TSHR | P16473 | 1/20 | 0.37 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.37 |
| ▸ | NPFFR1 | Q9GZQ6 | 1/20 | 0.37 |
| ▸ | NPFFR2 | Q9Y5X5 | 1/20 | 0.37 |
| ▸ | ACE | P12821 | 2/20 | 0.36 |
| ▸ | ACE2 | Q9BYF1 | 2/20 | 0.36 |
| ▸ | LTA4H | P09960 | 2/20 | 0.36 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.36 |
| ▸ | CHRM4 | P08173 | 1/20 | 0.36 |
| ▸ | CHRM5 | P08912 | 1/20 | 0.36 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.36 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL19899275 | 0.84 | AGTR2 (0.44) | AGTR2MMP2ALDH1A1ACELTA4H | |
| SCHEMBL21104798 | 0.83 | NR1H2 (0.42) | AGTR2MMP2L3MBTL1CYP3A4POLB | |
| SCHEMBL19899342 | 0.83 | NR1H2 (0.42) | AGTR2MMP2L3MBTL1CYP3A4POLB | |
| SCHEMBL5275231 | 0.78 | MMP2 (0.38) | ECE1MMP2L3MBTL1MAPK1KDM4E | |
| SCHEMBL22980156 | 0.78 | MMP2 (0.47) | MMP2L3MBTL1MAPK1ALDH1A1CYP3A4 | |
| SCHEMBL8763150 | 0.78 | P2RX3 (0.41) | ECE1MMP2L3MBTL1MAPK1KDM4E | |
| SCHEMBL8763146 | 0.78 | P2RX3 (0.41) | ECE1MMP2L3MBTL1MAPK1KDM4E | |
| SCHEMBL5066697 | 0.78 | MMP2 (0.41) | ECE1MMP2ALDH1A1ACE | |
| SCHEMBL13182579 | 0.76 | MMP2 (0.67) | MMP2NPFFR1NPFFR2CHRM1HPGD | |
| SCHEMBL13758532 | 0.76 | ALDH1A1 (0.46) | AGTR2L3MBTL1MAPK1KDM4EALDH1A1 |
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-3504197-A1 | NEW TRIFLUOROMETHYLPROPANAMIDE DERIVATIVES AS HTRA1 INHIBITORS | H. Hoffnabb-La Roche Ag (CH) | 2019-07-03 | — | — | EP | disclosed |
| WO-2018036957-A1 | NEW TRIFLUOROMETHYLPROPANAMIDE DERIVATIVES AS HTRA1 INHIBITORS | F. HOFFMANN-LA ROCHE AG (CH) | 2018-03-01 | — | — | WO | disclosed |