Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR1 | P03372 | 1/20 | 0.44 |
| ▸ | CA12 | O43570 | 3/20 | 0.44 |
| ▸ | CA1 | P00915 | 3/20 | 0.44 |
| ▸ | CA2 | P00918 | 3/20 | 0.44 |
| ▸ | CA9 | Q16790 | 3/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.42 |
| ▸ | HPGD | P15428 | 1/20 | 0.41 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.41 |
| ▸ | HSD11B1 | P28845 | 1/20 | 0.41 |
| ▸ | GHSR | Q92847 | 6/20 | 0.39 |
| ▸ | THRA | P10827 | 1/20 | 0.39 |
| ▸ | THRB | P10828 | 1/20 | 0.39 |
| ▸ | MEN1 | O00255 | 1/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.39 |
| ▸ | UCHL1 | P09936 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL9969450 | 0.83 | ALDH1A1 (0.58) | ESR1CA12CA1CA2CA9 | |
| SCHEMBL28917868 | 0.81 | CA1 (0.55) | ESR1CA1CA2HSD11B1GHSR | |
| SCHEMBL12315293 | 0.79 | NPSR1 (0.56) | CA12CA1CA2CA9ALDH1A1 | |
| SCHEMBL9243229 | 0.79 | UCHL1 (0.58) | CA2ALDH1A1HPGDMEN1KMT2A | |
| SCHEMBL13668104 | 0.77 | SMN1; SMN2 (0.62) | ESR1CA1CA2 | |
| SCHEMBL12315373 | 0.77 | CA12 (0.65) | CA12CA1CA2CA9ALDH1A1 | |
| SCHEMBL2600037 | 0.76 | ESR1 (0.50) | ESR1CA2HSD11B1THRATHRB | |
| SCHEMBL23554973 | 0.76 | GHSR (0.64) | CA12CA1CA2CA9ALDH1A1 | |
| SCHEMBL9969440 | 0.76 | ALDH1A1 (0.55) | CA12CA1CA2CA9ALDH1A1 | |
| SCHEMBL18924371 | 0.75 | GHSR (0.66) | CA12CA1CA2CA9ALDH1A1 |
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 |