Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR2 | Q92731 | 5/20 | 0.54 |
| ▸ | ESR1 | P03372 | 4/20 | 0.54 |
| ▸ | SLC6A2 | P23975 | 2/20 | 0.44 |
| ▸ | SLC6A4 | P31645 | 2/20 | 0.44 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.40 |
| ▸ | MEN1 | O00255 | 2/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.40 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.40 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.40 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.40 |
| ▸ | TSHR | P16473 | 2/20 | 0.38 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.38 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.37 |
| ▸ | LMNA | P02545 | 2/20 | 0.37 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.37 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.37 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.37 |
| ▸ | PPARG | P37231 | 1/20 | 0.36 |
| ▸ | PPARA | Q07869 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL31447633 | 0.83 | TAAR1 (0.43) | ESR2ESR1SLC6A2SLC6A4MEN1 | |
| SCHEMBL28608574 | 0.79 | SLC6A2 (0.44) | ESR2ESR1SLC6A2SLC6A4CYP3A4 | |
| SCHEMBL10566955 | 0.79 | MAP2K1 (0.41) | ESR2ESR1SLC6A2SLC6A4CYP3A4 | |
| SCHEMBL10568568 | 0.79 | ESR1 (0.47) | ESR2ESR1SLC6A2SLC6A4CYP3A4 | |
| SCHEMBL1442835 | 0.77 | TAAR1 (0.42) | ESR2ESR1SLC6A2SLC6A4CYP3A4 | |
| SCHEMBL28978071 | 0.76 | PIP4K2A (0.47) | ESR2ESR1SLC6A4KMT2AALDH1A1 | |
| SCHEMBL11018798 | 0.75 | ESR2 (0.56) | ESR2ESR1CYP3A4MEN1KMT2A | |
| SCHEMBL56063 | 0.75 | ESR2 (0.60) | ESR2ESR1SLC6A2SLC6A4CYP3A4 | |
| SCHEMBL198401 | 0.74 | DPP4 (0.40) | ESR2ESR1SLC6A2SLC6A4CYP3A4 | |
| SCHEMBL6547026 | 0.73 | SLC6A2 (0.49) | SLC6A2SLC6A4TRPA1TAAR1 |
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-1163215-A1 | AMINO-THIO-ACRYLONITRILES AS MEK INHIBITORS | Du Pont Pharmaceuticals Company (US) | 2001-12-19 | — | — | EP | disclosed |
| WO-2000056706-A1 | AMINO-THIO-ACRYLONITRILES AS MEK INHIBITORS | DU PONT PHARMACEUTICALS COMPANY (US) | 2000-09-28 | — | — | WO | disclosed |