Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 2/20 | 0.55 |
| ▸ | CYP17A1 | P05093 | 2/20 | 0.55 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.55 |
| ▸ | CYP11B1 | P15538 | 1/20 | 0.55 |
| ▸ | CYP11B2 | P19099 | 1/20 | 0.55 |
| ▸ | XDH | P47989 | 1/20 | 0.55 |
| ▸ | GABRA1 | P14867 | 5/20 | 0.53 |
| ▸ | GABRB2 | P47870 | 5/20 | 0.53 |
| ▸ | CNR2 | P34972 | 3/20 | 0.53 |
| ▸ | MEN1 | O00255 | 2/20 | 0.53 |
| ▸ | GAA | P10253 | 2/20 | 0.53 |
| ▸ | MAPT | P10636 | 2/20 | 0.53 |
| ▸ | CNR1 | P21554 | 2/20 | 0.53 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.53 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.53 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.53 |
| ▸ | ALDH2 | P05091 | 1/20 | 0.53 |
| ▸ | AKR1B1 | P15121 | 1/20 | 0.53 |
| ▸ | HPGD | P15428 | 1/20 | 0.53 |
| ▸ | PPARG | P37231 | 1/20 | 0.53 |
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 | |
|---|---|---|---|---|
| SCHEMBL10340887 | 0.85 | XDH (0.68) | CYP3A4CYP17A1CYP19A1CYP11B1CYP11B2 | |
| SCHEMBL10340731 | 0.84 | CYP11B1 (0.51) | CYP3A4CYP17A1CYP19A1CYP11B1CYP11B2 | |
| SCHEMBL10752849 | 0.81 | CYP11B1 (0.56) | CYP3A4CYP17A1CYP19A1CYP11B1CYP11B2 | |
| SCHEMBL10525309 | 0.80 | ESR1 (0.45) | CYP3A4CYP17A1CYP19A1CYP11B1CYP11B2 | |
| SCHEMBL833876 | 0.80 | CYP17A1 (0.80) | CYP3A4CYP17A1CYP19A1CYP11B1CYP11B2 | |
| SCHEMBL11132783 | 0.79 | ESR2 (0.55) | CYP3A4XDHGABRA1GABRB2CNR2 | |
| SCHEMBL11667102 | 0.79 | XDH (0.55) | CYP3A4XDHGABRA1GABRB2CNR2 | |
| SCHEMBL7736559 | 0.79 | RARB (0.56) | XDHKDM4ERXRALMNAHSD17B10 | |
| SCHEMBL4567633 | 0.77 | GABRA1 (0.39) | CYP3A4CYP17A1CYP19A1CYP11B1CYP11B2 | |
| SCHEMBL12997535 | 0.77 | GABRA1 (0.39) | CYP3A4CYP17A1CYP19A1CYP11B1CYP11B2 |
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 |
|---|---|---|---|---|---|---|---|
| JP-3176446-A | — | — | None | — | — | JP | disclosed |
| JP-H03176446-A | FLUORINE-CONTAINING BIPHENYL DERIVATIVE | DAINIPPON INK & CHEM INC | 1991-07-31 | — | — | JP | disclosed |