Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SIGMAR1 | Q99720 | 4/20 | 0.52 |
| ▸ | EBP | Q15125 | 3/20 | 0.52 |
| ▸ | DRD2 | P14416 | 4/20 | 0.49 |
| ▸ | DRD3 | P35462 | 4/20 | 0.49 |
| ▸ | OPRM1 | P35372 | 3/20 | 0.49 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.49 |
| ▸ | DRD4 | P21917 | 2/20 | 0.49 |
| ▸ | ABCB1 | P08183 | 6/20 | 0.45 |
| ▸ | CYP3A4 | P08684 | 5/20 | 0.45 |
| ▸ | ABCC1 | P33527 | 4/20 | 0.45 |
| ▸ | KCNH2 | Q12809 | 4/20 | 0.45 |
| ▸ | TSHR | P16473 | 3/20 | 0.45 |
| ▸ | LMNA | P02545 | 3/20 | 0.45 |
| ▸ | MEN1 | O00255 | 3/20 | 0.45 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.45 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.45 |
| ▸ | ABCB11 | O95342 | 2/20 | 0.45 |
| ▸ | CACNA1F | O60840 | 2/20 | 0.45 |
| ▸ | HTR1A | P08908 | 2/20 | 0.45 |
| ▸ | ADRA2A | P08913 | 2/20 | 0.45 |
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 | |
|---|---|---|---|---|
| SCHEMBL9492425 | 0.98 | EBP (0.50) | SIGMAR1EBPDRD2DRD3OPRM1 | |
| SCHEMBL9490822 | 0.91 | SIGMAR1 (0.53) | SIGMAR1EBPDRD2DRD3OPRM1 | |
| SCHEMBL11820903 | 0.84 | CYP3A4 (0.64) | SIGMAR1EBPDRD2DRD3OPRM1 | |
| SCHEMBL10453764 | 0.82 | SIGMAR1 (0.54) | SIGMAR1EBPDRD2DRD3OPRM1 | |
| SCHEMBL9493598 | 0.80 | DRD2 (0.52) | SIGMAR1DRD2DRD3OPRM1CYP2D6 | |
| SCHEMBL10452583 | 0.78 | SIGMAR1 (0.63) | SIGMAR1EBPDRD2DRD3OPRM1 | |
| SCHEMBL9490429 | 0.78 | SIGMAR1 (0.63) | SIGMAR1EBPDRD2DRD3OPRM1 | |
| SCHEMBL9492427 | 0.78 | DRD2 (0.50) | SIGMAR1DRD2DRD3OPRM1CYP2D6 | |
| Sulfamate SCHEMBL10452635 | 0.78 | EBP (0.65) | SIGMAR1EBPDRD2DRD3OPRM1 | |
| SCHEMBL9492261 | 0.78 | SIGMAR1 (0.76) | SIGMAR1EBPDRD2DRD3OPRM1 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0231003-B1 | BASIC SUBSTITUTED PHENYLACETONITRILES, THEIR PREPARATION AND MEDICAMENTS CONTAINING THEM | BASF Aktiengesellschaft (DE) | 1993-04-07 | — | — | EP | disclosed |
| US-4968717-A | SEROTONIN-AND CALCIUM-ANTAGONISTS | BASF AKTIENGESELLSCHAFT (DE) | 1990-11-06 | — | — | US | disclosed |
| EP-0231003-A2 | Basic substituted phenylacetonitriles, their preparation and medicaments containing them | BASF Aktiengesellschaft (DE) | 1987-08-05 | — | — | EP | disclosed |