Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR1 | P03372 | 10/20 | 0.56 |
| ▸ | ESR2 | Q92731 | 9/20 | 0.56 |
| ▸ | PDCD1 | Q15116 | 1/20 | 0.56 |
| ▸ | CD274 | Q9NZQ7 | 1/20 | 0.56 |
| ▸ | LMNA | P02545 | 2/20 | 0.44 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.44 |
| ▸ | MAPT | P10636 | 2/20 | 0.44 |
| ▸ | ALOX15 | P16050 | 2/20 | 0.44 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.44 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.44 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.44 |
| ▸ | PGR | P06401 | 1/20 | 0.44 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.44 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.44 |
| ▸ | AR | P10275 | 1/20 | 0.44 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.44 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.44 |
| ▸ | DRD1 | P21728 | 1/20 | 0.44 |
| ▸ | TBXA2R | P21731 | 1/20 | 0.44 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL30753092 | 0.84 | ESR1 (0.68) | ESR1ESR2PDCD1CD274LMNA | |
| SCHEMBL11949347 | 0.84 | ESR1 (0.68) | ESR1ESR2PDCD1CD274LMNA | |
| SCHEMBL29351491 | 0.84 | ESR1 (0.68) | ESR1ESR2PDCD1CD274LMNA | |
| SCHEMBL4247422 | 0.84 | ESR1 (0.68) | ESR1ESR2PDCD1CD274LMNA | |
| SCHEMBL2631307 | 0.79 | ESR1 (0.62) | ESR1ESR2PDCD1CD274LMNA | |
| SCHEMBL20371199 | 0.79 | ESR1 (0.62) | ESR1ESR2PDCD1CD274LMNA | |
| SCHEMBL20474591 | 0.79 | ESR1 (0.62) | ESR1ESR2PDCD1CD274LMNA | |
| SCHEMBL1697224 | 0.77 | ESR1 (0.59) | ESR1ESR2PDCD1CD274LMNA | |
| SCHEMBL14156465 | 0.75 | ESR1 (0.56) | ESR1ESR2PDCD1CD274LMNA | |
| SCHEMBL10751699 | 0.75 | ESR1 (0.56) | ESR1ESR2PDCD1CD274LMNA |
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-1100785-A1 | SUBSTITUTED CYCLOHEXYLAMINOPYRIMIDINES | Aventis CropScience GmbH (DE) | 2001-05-23 | — | — | EP | disclosed |
| US-6197729-B1 | COMBATING PEST WHICH COMPRISES APPLYING TO PEST OR ITS LOCUS PESTICIDAL CYCLOHEXYLAMINOPYRIMIDINNE COMPOUND | HOECHST SCHERING AGREVO (DE) | 2001-03-06 | — | — | US | disclosed |
| WO-2000007998-A1 | SUBSTITUTED CYCLOHEXYLAMINOPYRIMIDINES | AVENTIS CROPSCIENCE GMBH (DE) | 2000-02-17 | — | — | WO | disclosed |