Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.39 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.39 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.39 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.37 |
| ▸ | TP53 | P04637 | 2/20 | 0.37 |
| ▸ | MAPT | P10636 | 2/20 | 0.37 |
| ▸ | NTSR1 | P30989 | 1/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.36 |
| ▸ | GLA | P06280 | 1/20 | 0.36 |
| ▸ | HPGD | P15428 | 1/20 | 0.36 |
| ▸ | PGR | P06401 | 3/20 | 0.36 |
| ▸ | CYP19A1 | P11511 | 2/20 | 0.34 |
| ▸ | CYP11B1 | P15538 | 2/20 | 0.34 |
| ▸ | CYP11B2 | P19099 | 2/20 | 0.34 |
| ▸ | HTR5A | P47898 | 1/20 | 0.34 |
| ▸ | NOS3 | P29474 | 1/20 | 0.34 |
| ▸ | NOS2 | P35228 | 1/20 | 0.34 |
| ▸ | SRD5A1 | P18405 | 1/20 | 0.34 |
| ▸ | HTT | P42858 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL22782767 | 0.84 | CYP1A2 (0.36) | CYP1A2CYP2D6CYP2C9CYP2C19KDM4E | |
| SCHEMBL22782770 | 0.84 | CYP1A2 (0.39) | CYP1A2CYP2D6CYP2C9CYP2C19KDM4E | |
| SCHEMBL22782766 | 0.79 | ALDH1A1 (0.51) | CYP1A2CYP2D6CYP2C9CYP2C19KDM4E | |
| SCHEMBL19862033 | 0.74 | CYP3A4 (0.40) | CYP2D6KDM4ETP53MAPTNTSR1 | |
| SCHEMBL20301195 | 0.73 | TGFBR1 (0.37) | CYP2D6KDM4EMAPTALDH1A1CYP11B2 | |
| SCHEMBL4521246 | 0.71 | AKR1C3 (0.44) | CYP1A2MAPTALDH1A1LMNA | |
| SCHEMBL20300787 | 0.71 | LMNA (0.39) | CYP1A2CYP2D6CYP2C9CYP2C19KDM4E | |
| SCHEMBL20300730 | 0.70 | PRF1 (0.44) | KDM4EMAPTALDH1A1MITFLMNA | |
| SCHEMBL20951663 | 0.70 | CA1 (0.43) | ALDH1A1PGRSRD5A1 | |
| SCHEMBL21131588 | 0.70 | ALDH1A1 (0.46) | CYP2C19ALDH1A1CYP11B2SRD5A1HTT |
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 |
|---|---|---|---|---|---|---|---|
| EP-3582616-B1 | FUNGICIDAL COMPOSITIONS | SYNGENTA PARTICIPATIONS AG (CH) | 2020-12-16 | — | — | EP | disclosed |