Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CASP1 | P29466 | 3/20 | 0.36 |
| ▸ | CASP4 | P49662 | 3/20 | 0.36 |
| ▸ | CASP5 | P51878 | 3/20 | 0.36 |
| ▸ | GBA1 | P04062 | 12/20 | 0.33 |
| ▸ | USP2 | O75604 | 1/20 | 0.33 |
| ▸ | TP53 | P04637 | 1/20 | 0.33 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.33 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.33 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.33 |
| ▸ | TSHR | P16473 | 1/20 | 0.33 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.33 |
| ▸ | THPO | P40225 | 1/20 | 0.33 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.33 |
| ▸ | LCK | P06239 | 1/20 | 0.33 |
| ▸ | FYN | P06241 | 1/20 | 0.33 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.33 |
| ▸ | DRD2 | P14416 | 1/20 | 0.33 |
| ▸ | ADRA1D | P25100 | 1/20 | 0.33 |
| ▸ | MAPK3 | P27361 | 1/20 | 0.33 |
| ▸ | HTR2C | P28335 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL9688212 | 0.76 | CASP1 (0.36) | CASP1CASP4CASP5GBA1USP2 | |
| SCHEMBL10373003 | 0.76 | CASP1 (0.36) | CASP1CASP4CASP5GBA1USP2 | |
| SCHEMBL9702310 | 0.61 | CASP1 (0.39) | CASP1CASP4CASP5GBA1HRH4 | |
| SCHEMBL9688175 | 0.60 | CASP1 (0.51) | CASP1CASP4CASP5GBA1USP2 | |
| Alcohol SCHEMBL9639430 | 0.60 | CASP1 (0.78) | CASP1CASP4CASP5GBA1USP2 | |
| Hydrochloric Acid SCHEMBL9690244 | 0.59 | CASP1 (0.50) | CASP1CASP4CASP5GBA1USP2 | |
| SCHEMBL9130732 | 0.59 | CASP1 (0.56) | CASP1CASP4CASP5GBA1USP2 | |
| SCHEMBL9755199 | 0.58 | GBA1 (0.50) | CASP1CASP4CASP5GBA1HRH4 | |
| SCHEMBL29754406 | 0.58 | CASP1 (0.80) | CASP1CASP4CASP5GBA1USP2 | |
| Propionic Acid SCHEMBL9639465 | 0.57 | CASP1 (0.71) | CASP1CASP4CASP5GBA1USP2 |
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 |
|---|---|---|---|---|---|---|---|
| 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 |