Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MEN1 | O00255 | 3/20 | 0.40 |
| ▸ | CCR1 | P32246 | 1/20 | 0.39 |
| ▸ | KCNA3 | P22001 | 6/20 | 0.36 |
| ▸ | OPRM1 | P35372 | 3/20 | 0.35 |
| ▸ | KEAP1 | Q14145 | 1/20 | 0.34 |
| ▸ | NFE2L2 | Q16236 | 1/20 | 0.34 |
| ▸ | CHRM2 | P08172 | 3/20 | 0.34 |
| ▸ | CHRM1 | P11229 | 3/20 | 0.34 |
| ▸ | CHRM3 | P20309 | 3/20 | 0.34 |
| ▸ | DRD2 | P14416 | 2/20 | 0.33 |
| ▸ | DRD4 | P21917 | 2/20 | 0.33 |
| ▸ | DRD3 | P35462 | 2/20 | 0.33 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.33 |
| ▸ | DPP4 | P27487 | 1/20 | 0.33 |
| ▸ | CCR3 | P51677 | 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 | |
|---|---|---|---|---|
| SCHEMBL5751962 | 0.93 | CCR1 (0.46) | MEN1CCR1KCNA3OPRM1KEAP1 | |
| SCHEMBL10448512 | 0.84 | ALDH1A1 (0.37) | MEN1CCR1KCNA3OPRM1KEAP1 | |
| SCHEMBL7359773 | 0.77 | CCR1 (0.47) | MEN1CCR1KCNA3OPRM1CHRM2 | |
| SCHEMBL9667151 | 0.74 | CCR1 (0.47) | MEN1CCR1KCNA3OPRM1KEAP1 | |
| SCHEMBL7357672 | 0.74 | CCR1 (0.40) | MEN1CCR1KCNA3OPRM1KEAP1 | |
| SCHEMBL13123944 | 0.73 | CCR1 (0.48) | MEN1CCR1KCNA3OPRM1KEAP1 | |
| SCHEMBL9665195 | 0.73 | CCR1 (0.48) | MEN1CCR1KCNA3OPRM1KEAP1 | |
| SCHEMBL7362420 | 0.72 | DRD2 (0.56) | CCR1OPRM1DRD2DRD4DRD3 | |
| SCHEMBL8319806 | 0.72 | CHRM3 (0.40) | MEN1CCR1KCNA3OPRM1CHRM2 | |
| SCHEMBL5754563 | 0.71 | CYP2D6 (0.40) | CCR1KCNA3OPRM1CHRM2CHRM1 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0699182-A1 | CYCLOPROPYLACETONITRILE DERIVATIVES, PREPARATION THEREOF AND USE THEREOF AS DRUGS | LABORATORIOS DEL DR. ESTEVE, S.A. (ES) | 1996-03-06 | — | — | EP | disclosed |
| WO-1995025087-A1 | CYCLOPROPYLACETONITRILE DERIVATIVES, PREPARATION THEREOF AND USE THEREOF AS DRUGS | LABORATORIOS DEL DR. ESTEVE, S.A. (ES) | 1995-09-21 | — | — | WO | disclosed |