Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CASP1 | P29466 | 12/20 | 0.55 |
| ▸ | CASP5 | P51878 | 12/20 | 0.55 |
| ▸ | CASP4 | P49662 | 10/20 | 0.55 |
| ▸ | HRH4 | Q9H3N8 | 1/20 | 0.41 |
| ▸ | HTR1A | P08908 | 5/20 | 0.40 |
| ▸ | DRD2 | P14416 | 1/20 | 0.39 |
| ▸ | HTR2A | P28223 | 1/20 | 0.39 |
| ▸ | HTR7 | P34969 | 1/20 | 0.39 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.39 |
| ▸ | KMT5A | Q9NQR1 | 1/20 | 0.39 |
| ▸ | GBA1 | P04062 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL9702220 | 0.96 | CASP1 (0.53) | CASP1CASP5CASP4HTR1AKMT5A | |
| SCHEMBL9688140 | 0.93 | CASP1 (0.62) | CASP1CASP5CASP4HRH4DRD2 | |
| Hydrochloric Acid SCHEMBL10367476 | 0.92 | CASP1 (0.61) | CASP1CASP5CASP4HRH4GBA1 | |
| SCHEMBL9130732 | 0.86 | CASP1 (0.56) | CASP1CASP5CASP4HRH4DRD2 | |
| SCHEMBL9689029 | 0.78 | CASP1 (0.85) | CASP1CASP5CASP4 | |
| SCHEMBL9702314 | 0.77 | CASP1 (0.46) | CASP1CASP5CASP4HRH4HTR1A | |
| SCHEMBL9701436 | 0.76 | CASP1 (0.51) | CASP1CASP5CASP4HRH4DRD2 | |
| SCHEMBL9712234 | 0.75 | CASP1 (0.51) | CASP1CASP5CASP4HRH4HTR1A | |
| SCHEMBL9755188 | 0.75 | CASP1 (0.60) | CASP1CASP5CASP4HRH4GBA1 | |
| SCHEMBL9689097 | 0.74 | CASP1 (0.58) | CASP1CASP5CASP4HRH4 |
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 |
| 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 |
| EP-0293078-A1 | Pharmaceutically active amines | THE UPJOHN COMPANY (US) | 1988-11-30 | — | — | EP | disclosed |
| WO-1988008424-A1 | PHARMACEUTICALLY ACTIVE AMINES | THE UPJOHN COMPANY (US) | 1988-11-03 | — | — | WO | disclosed |