Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2D6 | P10635 | 1/20 | 0.42 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.42 |
| ▸ | CHEK2 | O96017 | 1/20 | 0.40 |
| ▸ | CETP | P11597 | 1/20 | 0.39 |
| ▸ | DRD3 | P35462 | 2/20 | 0.38 |
| ▸ | DRD2 | P14416 | 1/20 | 0.38 |
| ▸ | DRD4 | P21917 | 1/20 | 0.38 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.36 |
| ▸ | OPRD1 | P41143 | 1/20 | 0.36 |
| ▸ | PDE2A | O00408 | 1/20 | 0.36 |
| ▸ | SLC6A4 | P31645 | 4/20 | 0.35 |
| ▸ | SLC6A2 | P23975 | 3/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.35 |
| ▸ | GLA | P06280 | 1/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.35 |
| ▸ | MEN1 | O00255 | 2/20 | 0.35 |
| ▸ | PRMT5 | O14744 | 1/20 | 0.35 |
| ▸ | NPY5R | Q15761 | 1/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.35 |
| ▸ | S1PR2 | O95136 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL8963650 | 0.96 | CHEK2 (0.40) | CYP2D6CYP19A1CHEK2CETPDRD3 | |
| SCHEMBL8963679 | 0.92 | MEN1 (0.42) | DRD3DRD2DRD4OPRD1SLC6A4 | |
| SCHEMBL8963516 | 0.91 | CHEK2 (0.42) | CYP2D6CYP19A1CHEK2OPRM1OPRD1 | |
| SCHEMBL8963787 | 0.89 | PIN1 (0.45) | SLC6A4SLC6A2KMT2AMEN1NPY5R | |
| SCHEMBL8963580 | 0.87 | PRMT5 (0.40) | DRD3DRD2DRD4OPRD1SLC6A4 | |
| Hydrochloric Acid SCHEMBL8963783 | 0.86 | PRMT5 (0.40) | DRD3DRD2DRD4OPRD1SLC6A4 | |
| Hydrochloric Acid SCHEMBL8963507 | 0.85 | CHEK2 (0.40) | CYP2D6CYP19A1CHEK2CETPDRD3 | |
| SCHEMBL8964088 | 0.85 | OPRD1 (0.37) | CYP2D6CYP19A1CHEK2DRD3DRD2 | |
| SCHEMBL8963860 | 0.84 | PIN1 (0.43) | SLC6A4SLC6A2KMT2AMEN1PRMT5 | |
| SCHEMBL8964068 | 0.83 | PRMT5 (0.44) | CYP2D6OPRM1OPRD1SLC6A4SLC6A2 |
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 |
|---|---|---|---|---|---|---|---|
| US-5514800-A | CALCIUM CHANNEL BLOCKERS, CEREBRAL ISCHEMIA | SYNTEX PHARMACEUTICALS, LTD. (GB) | 1996-05-07 | — | — | US | disclosed |