Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP19A1 | P11511 | 3/20 | 0.44 |
| ▸ | CYP11B1 | P15538 | 2/20 | 0.44 |
| ▸ | CYP11B2 | P19099 | 2/20 | 0.44 |
| ▸ | RARB | P10826 | 4/20 | 0.42 |
| ▸ | RARA | P10276 | 1/20 | 0.42 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.41 |
| ▸ | HPGD | P15428 | 2/20 | 0.41 |
| ▸ | HTT | P42858 | 1/20 | 0.41 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.41 |
| ▸ | THRA | P10827 | 1/20 | 0.41 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.41 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.41 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.41 |
| ▸ | PDE2A | O00408 | 1/20 | 0.40 |
| ▸ | NR5A1 | Q13285 | 1/20 | 0.40 |
| ▸ | TSHR | P16473 | 1/20 | 0.40 |
| ▸ | PTPN11 | Q06124 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL8112496 | 0.91 | CYP2D6 (0.50) | CYP19A1RARBRARAKDM4EALDH1A1 | |
| SCHEMBL8112752 | 0.91 | CYP2D6 (0.50) | CYP19A1RARBRARAKDM4EALDH1A1 | |
| SCHEMBL6853043 | 0.80 | RARB (0.58) | CYP19A1RARBTHRACYP2D6CYP2C9 | |
| SCHEMBL6851556 | 0.80 | RARB (0.58) | CYP19A1RARBTHRACYP2D6CYP2C9 | |
| SCHEMBL6853512 | 0.80 | RARB (0.58) | CYP19A1RARBTHRACYP2D6CYP2C9 | |
| SCHEMBL6851493 | 0.80 | RARB (0.58) | CYP19A1RARBTHRACYP2D6CYP2C9 | |
| SCHEMBL8112765 | 0.80 | SRC (0.43) | CYP19A1CYP11B1CYP11B2RARBKDM4E | |
| SCHEMBL8774136 | 0.79 | CYP2D6 (0.50) | CYP19A1RARBRARAKDM4EALDH1A1 | |
| SCHEMBL8108654 | 0.77 | RARB (0.49) | CYP19A1RARBRARAKDM4EALDH1A1 | |
| SCHEMBL8774674 | 0.77 | CYP2D6 (0.51) | CYP19A1RARBRARAKDM4EALDH1A1 |
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-0573878-B1 | 3-fluoropyridines, process for their preparation and their use in liquid crystal mixtures | AVENTIS RES & TECH GMBH & CO (DE) | 2000-12-20 | — | — | EP | disclosed |