Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CCR1 | P32246 | 1/20 | 0.40 |
| ▸ | KCNA3 | P22001 | 6/20 | 0.37 |
| ▸ | MEN1 | O00255 | 4/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.36 |
| ▸ | LMNA | P02545 | 1/20 | 0.36 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.36 |
| ▸ | HRH1 | P35367 | 1/20 | 0.36 |
| ▸ | SCN1A | P35498 | 1/20 | 0.36 |
| ▸ | SCN2A | Q99250 | 1/20 | 0.36 |
| ▸ | SCN3A | Q9NY46 | 1/20 | 0.36 |
| ▸ | CHRM3 | P20309 | 4/20 | 0.35 |
| ▸ | CHRM2 | P08172 | 2/20 | 0.35 |
| ▸ | CHRM1 | P11229 | 2/20 | 0.35 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.34 |
| ▸ | KEAP1 | Q14145 | 1/20 | 0.33 |
| ▸ | NFE2L2 | Q16236 | 1/20 | 0.33 |
| ▸ | DPP4 | P27487 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL5752231 | 0.77 | KCNA3 (0.36) | CCR1KCNA3MEN1KMT2ALMNA | |
| SCHEMBL7359773 | 0.75 | CCR1 (0.47) | CCR1KCNA3MEN1CYP2D6CHRM3 | |
| SCHEMBL7362602 | 0.74 | MEN1 (0.40) | CCR1KCNA3MEN1CYP2D6CHRM3 | |
| SCHEMBL9667151 | 0.72 | CCR1 (0.47) | CCR1KCNA3MEN1CYP2D6HRH1 | |
| SCHEMBL13123944 | 0.71 | CCR1 (0.48) | CCR1KCNA3MEN1CYP2D6HRH1 | |
| SCHEMBL9665195 | 0.71 | CCR1 (0.48) | CCR1KCNA3MEN1CYP2D6HRH1 | |
| SCHEMBL10448512 | 0.70 | ALDH1A1 (0.37) | CCR1KCNA3MEN1CHRM3CHRM2 | |
| SCHEMBL8319806 | 0.70 | CHRM3 (0.40) | CCR1KCNA3MEN1CYP2D6CHRM3 | |
| SCHEMBL5754340 | 0.68 | KEAP1 (0.47) | CCR1MEN1CYP2D6HRH1CHRM3 | |
| SCHEMBL7362420 | 0.68 | DRD2 (0.56) | CCR1OPRM1DPP4 |
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 |