Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CASP1 | P29466 | 6/20 | 0.56 |
| ▸ | CASP5 | P51878 | 6/20 | 0.56 |
| ▸ | CASP4 | P49662 | 5/20 | 0.56 |
| ▸ | ADRA1A | P35348 | 4/20 | 0.49 |
| ▸ | MEN1 | O00255 | 1/20 | 0.49 |
| ▸ | USP2 | O75604 | 1/20 | 0.49 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.49 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.49 |
| ▸ | HTR1A | P08908 | 1/20 | 0.49 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.49 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.49 |
| ▸ | DRD2 | P14416 | 1/20 | 0.49 |
| ▸ | ADRA2B | P18089 | 1/20 | 0.49 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.49 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.49 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.49 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.49 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.49 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.49 |
| ▸ | DRD3 | P35462 | 1/20 | 0.49 |
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 | |
|---|---|---|---|---|
| SCHEMBL5430200 | 0.81 | ADRA1A (0.73) | ADRA1AMEN1USP2CYP1A2CYP3A4 | |
| SCHEMBL9689029 | 0.80 | CASP1 (0.85) | CASP1CASP5CASP4POLB | |
| SCHEMBL5430295 | 0.78 | ADRA1A (0.72) | ADRA1AMEN1USP2CYP1A2CYP3A4 | |
| SCHEMBL5430198 | 0.76 | MAPT (0.67) | ADRA1AMEN1CYP1A2CYP3A4CYP2D6 | |
| SCHEMBL5427956 | 0.74 | KDM4E (0.73) | ADRA1AMEN1CYP1A2CYP3A4HTR1A | |
| SCHEMBL5436548 | 0.74 | SIGMAR1 (0.61) | ADRA1AMEN1CYP1A2CYP3A4HTR1A | |
| SCHEMBL2600465 | 0.74 | DPP7 (0.52) | CYP2D6DRD2SLC6A4KCNH2KDM4E | |
| SCHEMBL9130732 | 0.74 | CASP1 (0.56) | CASP1CASP5CASP4MEN1USP2 | |
| SCHEMBL1299628 | 0.73 | SIGMAR1 (0.61) | ADRA1AADRA1DADRA1B | |
| SCHEMBL11698547 | 0.73 | DPP7 (0.67) | ADRA1AADRA1DADRA1BALDH1A1DPP7 |
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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0358676-A1 | PHARMACEUTICALLY ACTIVE AMINES | THE UPJOHN COMPANY (US) | 1990-03-21 | — | — | EP | claimed |
| EP-0293078-A1 | Pharmaceutically active amines | THE UPJOHN COMPANY (US) | 1988-11-30 | — | — | EP | claimed |
| WO-1988008424-A1 | PHARMACEUTICALLY ACTIVE AMINES | THE UPJOHN COMPANY (US) | 1988-11-03 | — | — | WO | claimed |
| US-5120843-A | Nervous system disorders | UPJOHN (US) | 1992-06-09 | — | — | US | disclosed |
| EP-0487510-A1 | Pharmaceutically active amines | THE UPJOHN COMPANY (US) | 1992-05-27 | — | — | EP | disclosed |
| EP-0358676-A1 | PHARMACEUTICALLY ACTIVE AMINES | THE UPJOHN COMPANY (US) | 1990-03-21 | — | — | EP | disclosed |
| WO-1988008424-A1 | PHARMACEUTICALLY ACTIVE AMINES | THE UPJOHN COMPANY (US) | 1988-11-03 | — | — | WO | disclosed |