Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP17A1 | P05093 | 1/20 | 0.41 |
| ▸ | CYP11B1 | P15538 | 1/20 | 0.41 |
| ▸ | CYP11B2 | P19099 | 1/20 | 0.41 |
| ▸ | GPR84 | Q9NQS5 | 1/20 | 0.39 |
| ▸ | PGR | P06401 | 3/20 | 0.38 |
| ▸ | MEN1 | O00255 | 1/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.36 |
| ▸ | MAOB | P27338 | 2/20 | 0.35 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.35 |
| ▸ | KIF11 | P52732 | 1/20 | 0.34 |
| ▸ | AAK1 | Q2M2I8 | 1/20 | 0.34 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.33 |
| ▸ | GRIN2B | Q13224 | 1/20 | 0.33 |
| ▸ | MLNR | O43193 | 1/20 | 0.33 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.33 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.33 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.33 |
| ▸ | SLC6A3 | Q01959 | 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 | |
|---|---|---|---|---|
| SCHEMBL8768373 | 1.00 | CYP17A1 (0.41) | CYP17A1CYP11B1CYP11B2GPR84PGR | |
| SCHEMBL19720358 | 0.90 | CYP17A1 (0.44) | CYP17A1CYP11B1CYP11B2GPR84PGR | |
| SCHEMBL14064205 | 0.89 | GPR84 (0.40) | CYP17A1CYP11B1CYP11B2GPR84MAOB | |
| SCHEMBL8767226 | 0.88 | MEN1 (0.42) | MEN1KMT2AMAOBSLC6A2SLC6A4 | |
| SCHEMBL20805115 | 0.87 | GPR84 (0.39) | GPR84MAOBHRH3 | |
| SCHEMBL19452844 | 0.87 | MEN1 (0.44) | MEN1KMT2AMAOBSLC6A2SLC6A4 | |
| SCHEMBL9139450 | 0.85 | CYP17A1 (0.37) | CYP17A1CYP11B1CYP11B2GPR84PGR | |
| SCHEMBL8019285 | 0.85 | CYP17A1 (0.37) | CYP17A1CYP11B1CYP11B2GPR84PGR | |
| SCHEMBL8019283 | 0.85 | CYP17A1 (0.37) | CYP17A1CYP11B1CYP11B2GPR84PGR | |
| SCHEMBL8019284 | 0.85 | CYP17A1 (0.37) | CYP17A1CYP11B1CYP11B2GPR84PGR |
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-0789067-A1 | Cyclopentyl derivatives useful as liquid crystals | Rolic AG (CH) | 1997-08-13 | — | — | EP | disclosed |