Predicted protein targets (top 6)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.30 |
| ▸ | TSHR | P16473 | 1/20 | 0.30 |
| ▸ | MEN1 | O00255 | 1/20 | 0.30 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.30 |
| ▸ | RECQL | P46063 | 1/20 | 0.30 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL8744238 | 0.86 | ALDH1A1 (0.36) | ALDH1A1TSHR | |
| SCHEMBL8744188 | 0.83 | LMNA (0.41) | ALDH1A1TSHRMEN1KMT2A | |
| SCHEMBL8744171 | 0.81 | TSHR (0.33) | TSHR | |
| SCHEMBL28245654 | 0.79 | ALDH1A1 (0.36) | ALDH1A1TSHRMEN1CYP2C19RECQL | |
| SCHEMBL5689906 | 0.76 | TSHR (0.35) | ALDH1A1TSHRMEN1CYP2C19RECQL | |
| SCHEMBL10881602 | 0.76 | TSHR (0.33) | ALDH1A1TSHRMEN1CYP2C19RECQL | |
| 1-Cyanoallyl Propionate SCHEMBL2456348 | 0.74 | ALDH1A1 (0.32) | ALDH1A1TSHRMEN1CYP2C19RECQL | |
| SCHEMBL5322372 | 0.74 | TSHR (0.34) | ALDH1A1TSHRMEN1CYP2C19RECQL | |
| SCHEMBL13392782 | 0.73 | USP2 (0.41) | ALDH1A1TSHRMEN1CYP2C19RECQL | |
| SCHEMBL8744244 | 0.71 | — | — |
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-0612720-B1 | Process for producing 1,4-dicyano-2-butene | SUMITOMO CHEMICAL CO (JP) | 1997-01-08 | — | — | EP | disclosed |
| US-5463103-A | Reacting butene derivative with hydrogen cyanide in presence of catalyst prepared from cuprous halide, lower alkylamine hydrohalide and Lewis acid or basic acetate, carbonate or bicarbonate | SUMITOMO CHEMICAL COMPANY, LIMITED (JP) | 1995-10-31 | — | — | US | disclosed |
| EP-0612720-A1 | Process for producing 1,4-dicyano-2-butene | SUMITOMO CHEMICAL COMPANY, LIMITED (JP) | 1994-08-31 | — | — | EP | disclosed |