Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | DRD2 | P14416 | 6/20 | 0.69 |
| ▸ | DRD3 | P35462 | 1/20 | 0.69 |
| ▸ | DRD1 | P21728 | 5/20 | 0.62 |
| ▸ | HTR2A | P28223 | 5/20 | 0.62 |
| ▸ | HTR2C | P28335 | 3/20 | 0.62 |
| ▸ | HTR7 | P34969 | 3/20 | 0.62 |
| ▸ | PNPLA2 | Q96AD5 | 1/20 | 0.62 |
| ▸ | CYP2D6 | P10635 | 4/20 | 0.61 |
| ▸ | CYP2C19 | P33261 | 4/20 | 0.61 |
| ▸ | CYP3A4 | P08684 | 4/20 | 0.61 |
| ▸ | HSD17B10 | Q99714 | 4/20 | 0.61 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.61 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.61 |
| ▸ | TP53 | P04637 | 3/20 | 0.61 |
| ▸ | MAPT | P10636 | 3/20 | 0.61 |
| ▸ | HPGD | P15428 | 3/20 | 0.61 |
| ▸ | CASP1 | P29466 | 3/20 | 0.61 |
| ▸ | MEN1 | O00255 | 2/20 | 0.61 |
| ▸ | CASP7 | P55210 | 2/20 | 0.61 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.61 |
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 | |
|---|---|---|---|---|
| SCHEMBL2576347 | 0.89 | DRD2 (0.67) | DRD2DRD3DRD1HTR2AHTR2C | |
| SCHEMBL2578015 | 0.88 | DRD3 (0.53) | DRD2DRD3DRD1CYP2D6CYP3A4 | |
| SCHEMBL29467728 | 0.87 | KDM4E (0.80) | DRD2DRD3DRD1HTR2AHTR2C | |
| SCHEMBL4159150 | 0.87 | KDM4E (0.80) | DRD2DRD3DRD1HTR2AHTR2C | |
| SCHEMBL29506709 | 0.87 | KDM4E (0.80) | DRD2DRD3DRD1HTR2AHTR2C | |
| SCHEMBL3936482 | 0.87 | KDM4E (0.80) | DRD2DRD3DRD1HTR2AHTR2C | |
| Bromide SCHEMBL11708330 | 0.86 | KDM4E (0.78) | DRD2DRD3DRD1HTR2AHTR2C | |
| SCHEMBL1692381 | 0.82 | DRD2 (1.00) | DRD2DRD3DRD1HTR2AHTR2C | |
| SCHEMBL25468978 | 0.81 | HSD17B10 (0.78) | DRD2DRD3DRD1HTR2AHTR2C | |
| SCHEMBL2578252 | 0.80 | DRD2 (0.52) | DRD2DRD3DRD1HTR2ACYP2D6 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2011130530-A1 | 2-ALKOXY-11-HYDROXYAPORPHINE DERIVATIVES AND USES THEREOF | THE MCLEAN HOSPITAL CORPORATION (US) | 2011-10-20 | — | — | WO | disclosed |