Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CASP1 | P29466 | 3/20 | 0.64 |
| ▸ | CASP5 | P51878 | 3/20 | 0.64 |
| ▸ | CASP4 | P49662 | 2/20 | 0.64 |
| ▸ | HTR1A | P08908 | 1/20 | 0.54 |
| ▸ | DRD2 | P14416 | 1/20 | 0.54 |
| ▸ | HTR2A | P28223 | 1/20 | 0.54 |
| ▸ | HRH1 | P35367 | 1/20 | 0.54 |
| ▸ | DRD3 | P35462 | 1/20 | 0.54 |
| ▸ | TMEM97 | Q5BJF2 | 1/20 | 0.54 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.54 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.53 |
| ▸ | HRH3 | Q9Y5N1 | 2/20 | 0.52 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.51 |
| ▸ | HRH4 | Q9H3N8 | 1/20 | 0.51 |
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 | |
|---|---|---|---|---|
| SCHEMBL9688232 | 0.88 | CASP1 (0.52) | CASP1CASP5CASP4SIGMAR1HRH3 | |
| SCHEMBL9131269 | 0.87 | CASP1 (0.51) | CASP1CASP5CASP4HRH3 | |
| SCHEMBL9690170 | 0.87 | CASP1 (0.51) | CASP1CASP5CASP4HRH3 | |
| SCHEMBL9688206 | 0.87 | CASP1 (0.58) | CASP1CASP5CASP4DRD2DRD3 | |
| SCHEMBL9689029 | 0.81 | CASP1 (0.85) | CASP1CASP5CASP4SIGMAR1 | |
| SCHEMBL9690117 | 0.81 | CASP1 (0.54) | CASP1CASP5CASP4 | |
| SCHEMBL491672 | 0.78 | HRH3 (0.79) | HRH1KDM4EHRH3KCNH2HRH4 | |
| SCHEMBL9129799 | 0.77 | CASP1 (0.62) | CASP1CASP5CASP4HTR1ADRD2 | |
| SCHEMBL492176 | 0.77 | HRH3 (0.79) | KDM4EHRH3KCNH2HRH4 | |
| SCHEMBL491550 | 0.77 | HRH3 (0.79) | KDM4EHRH3KCNH2HRH4 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-1992018089-A2 | USE OF STEROIDAL AND NON-STEROIDAL AMINES TO SENSITIZE MULTIDRUG-RESISTANT CELLS | THE UPJOHN COMPANY (US) | 1992-10-29 | — | — | WO | disclosed |
| US-5120843-A | Nervous system disorders | UPJOHN (US) | 1992-06-09 | — | — | US | 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 |