Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.39 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.39 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.39 |
| ▸ | TSHR | P16473 | 1/20 | 0.39 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.39 |
| ▸ | SOS1 | Q07889 | 1/20 | 0.39 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.39 |
| ▸ | DRD2 | P14416 | 2/20 | 0.39 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.38 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.38 |
| ▸ | PDE4A | P27815 | 3/20 | 0.38 |
| ▸ | PDE4C | Q08493 | 3/20 | 0.38 |
| ▸ | PDE4D | Q08499 | 3/20 | 0.38 |
| ▸ | PTGS2 | P35354 | 3/20 | 0.38 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.38 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.38 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.38 |
| ▸ | GSTP1 | P09211 | 1/20 | 0.36 |
| ▸ | AKR1C3 | P42330 | 1/20 | 0.36 |
| ▸ | AKR1C2 | P52895 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL30705191 | 0.86 | DRD2 (0.44) | DRD2ADORA2AADORA1PDE4APDE4C | |
| SCHEMBL20987821 | 0.84 | ADORA2A (0.38) | CYP1A2CYP2D6CYP2C9TSHRCYP2C19 | |
| SCHEMBL7795719 | 0.82 | CA12 (0.40) | CYP2C9CYP2C19DRD2PDE4APDE4C | |
| SCHEMBL9229367 | 0.81 | GSTP1 (0.47) | CYP1A2CYP2D6CYP2C9TSHRCYP2C19 | |
| SCHEMBL13098729 | 0.81 | CA1 (0.38) | CYP1A2CYP2D6CYP2C9TSHRCYP2C19 | |
| SCHEMBL25634034 | 0.80 | MAPT (0.39) | CYP1A2CYP2D6CYP2C9TSHRCYP2C19 | |
| SCHEMBL14506136 | 0.79 | ADORA2A (0.42) | CYP1A2CYP2D6CYP2C9TSHRCYP2C19 | |
| SCHEMBL28014198 | 0.78 | DRD2 (0.40) | DRD2ADORA2AADORA1PTGS2 | |
| SCHEMBL26870524 | 0.78 | GPR84 (0.50) | ADORA2AADORA1PDE4APDE4CPDE4D | |
| SCHEMBL1304036 | 0.77 | ESR1 (0.43) | CYP1A2CYP2D6CYP2C9CYP2C19ADORA2A |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| JP-7247234-A | — | — | None | — | — | JP | disclosed |
| EP-0731105-B1 | Optically active tertiary phosphine compounds, transition metal complexes comprising the same as ligands and process for preparing optically active organic silicon compounds using said transition metal complexes | SUMITOMO CHEMICAL CO (JP) | 2001-12-05 | — | — | EP | disclosed |
| US-5621129-A | Optically active tertiary phosphine compound, transition metal complex comprising the same as ligand and process for preparing optically active organic silicon compound using said transition metal complex | SUMITOMO CHEMICAL CO., LTD. (JP) | 1997-04-15 | — | — | US | disclosed |
| EP-0731105-A1 | Optically active tertiary phosphine compounds, transition metal complexes comprising the same as ligands and process for preparing optically active organic silicon compounds using said transition metal complexes | SUMITOMO CHEMICAL COMPANY LIMITED (JP) | 1996-09-11 | — | — | EP | disclosed |
| JP-H07247234-A | BIARYL COMPOUND AND ITS PRODUCTION | SUMITOMO CHEM CO LTD | 1995-09-26 | — | — | JP | disclosed |