Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP19A1 | P11511 | 3/20 | 0.52 |
| ▸ | DRD2 | P14416 | 5/20 | 0.49 |
| ▸ | DRD3 | P35462 | 5/20 | 0.49 |
| ▸ | CA1 | P00915 | 2/20 | 0.46 |
| ▸ | CA2 | P00918 | 2/20 | 0.46 |
| ▸ | ACHE | P22303 | 2/20 | 0.46 |
| ▸ | CYP26A1 | O43174 | 1/20 | 0.46 |
| ▸ | HTR1A | P08908 | 2/20 | 0.46 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.46 |
| ▸ | DRD4 | P21917 | 2/20 | 0.45 |
| ▸ | MTNR1A | P48039 | 1/20 | 0.45 |
| ▸ | MTNR1B | P49286 | 1/20 | 0.45 |
| ▸ | HTR6 | P50406 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL7296513 | 0.95 | CYP19A1 (0.52) | CYP19A1DRD2DRD3CA1CA2 | |
| SCHEMBL4225647 | 0.91 | CYP19A1 (0.47) | CYP19A1DRD2DRD3CA1CA2 | |
| SCHEMBL7719725 | 0.83 | PSEN1 (0.46) | CYP19A1DRD2CA1CA2 | |
| SCHEMBL6401807 | 0.81 | DRD2 (0.50) | CYP19A1DRD2DRD3CA1CA2 | |
| SCHEMBL10678652 | 0.81 | CYP2D6 (0.42) | CYP19A1CYP26A1 | |
| SCHEMBL10532540 | 0.80 | GAA (0.46) | DRD2DRD3CA1CA2 | |
| SCHEMBL7776659 | 0.79 | CHRM2 (0.58) | CYP19A1DRD2DRD3CA1CA2 | |
| SCHEMBL7380518 | 0.79 | CYP19A1 (0.41) | CYP19A1ACHE | |
| SCHEMBL6197173 | 0.78 | MCHR1 (0.45) | — | |
| SCHEMBL8765272 | 0.77 | CYP2D6 (0.45) | DRD2DRD3CA1CA2ACHE |
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 |
|---|---|---|---|---|---|---|---|
| EP-0213080-B1 | HYDROGENATED PYRIDINE DERIVATIVES | CIBA-GEIGY AG (CH) | 1992-05-20 | — | — | EP | disclosed |
| EP-0213080-A2 | Hydrogenated pyridine derivatives | CIBA-GEIGY AG (CH) | 1987-03-04 | — | — | EP | disclosed |