Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM1A | O60341 | 13/20 | 0.37 |
| ▸ | CYP11B2 | P19099 | 3/20 | 0.35 |
| ▸ | CYP11B1 | P15538 | 2/20 | 0.35 |
| ▸ | RXRA | P19793 | 1/20 | 0.34 |
| ▸ | RXRB | P28702 | 1/20 | 0.34 |
| ▸ | RXRG | P48443 | 1/20 | 0.34 |
| ▸ | FFAR1 | O14842 | 1/20 | 0.34 |
| ▸ | FFAR4 | Q5NUL3 | 1/20 | 0.34 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.33 |
| ▸ | GLA | P06280 | 1/20 | 0.33 |
| ▸ | GAA | P10253 | 1/20 | 0.33 |
| ▸ | HPGD | P15428 | 1/20 | 0.33 |
| ▸ | XDH | P47989 | 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 | |
|---|---|---|---|---|
| SCHEMBL9164842 | 0.97 | FFAR1 (0.35) | KDM1ACYP11B2FFAR1FFAR4KDM4E | |
| SCHEMBL9482558 | 0.90 | ALDH1A1 (0.36) | KDM1AFFAR1FFAR4ALDH1A1 | |
| SCHEMBL9162179 | 0.89 | XDH (0.39) | CYP11B2CYP11B1XDH | |
| SCHEMBL7739126 | 0.85 | CYP3A4 (0.41) | ALDH1A1 | |
| SCHEMBL6567165 | 0.85 | DAO (0.38) | FFAR1FFAR4 | |
| SCHEMBL8048275 | 0.84 | FFAR1 (0.36) | KDM1ACYP11B2CYP11B1FFAR1FFAR4 | |
| SCHEMBL9166129 | 0.84 | ALDH1A1 (0.43) | ALDH1A1 | |
| SCHEMBL6567305 | 0.84 | DAO (0.34) | CYP11B2CYP11B1FFAR1FFAR4 | |
| SCHEMBL13198968 | 0.83 | KMT2A (0.34) | FFAR1FFAR4ALDH1A1HPGD | |
| SCHEMBL16848606 | 0.83 | CYP4A11 (0.39) | KDM1AFFAR1FFAR4ALDH1A1HPGD |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5413734-A | 4-cyano-3-fluorophenyl esters | HOFFMANN-LA ROCHE INC. (US) | 1995-05-09 | — | — | US | disclosed |