Predicted protein targets (top 7)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 1/20 | 0.35 |
| ▸ | ZDHHC20 | Q5W0Z9 | 2/20 | 0.35 |
| ▸ | DNM1 | Q05193 | 1/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.33 |
| ▸ | CNR1 | P21554 | 1/20 | 0.33 |
| ▸ | CNR2 | P34972 | 1/20 | 0.33 |
| ▸ | ZDHHC2 | Q9UIJ5 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL8744213 | 0.95 | TSHR (0.37) | TSHRZDHHC20 | |
| SCHEMBL8744218 | 0.87 | TSHR (0.30) | TSHR | |
| SCHEMBL8518246 | 0.82 | TSHR (0.35) | TSHRZDHHC20DNM1ALDH1A1CNR1 | |
| SCHEMBL8744244 | 0.79 | — | — | |
| SCHEMBL12276622 | 0.79 | DNM1 (0.41) | TSHRDNM1ALDH1A1CNR1CNR2 | |
| SCHEMBL14325106 | 0.77 | DNM1 (0.44) | TSHRDNM1ALDH1A1CNR1CNR2 | |
| SCHEMBL5679142 | 0.77 | DNM1 (0.44) | TSHRDNM1ALDH1A1CNR1CNR2 | |
| SCHEMBL8945762 | 0.76 | DNM1 (0.42) | TSHRDNM1ALDH1A1CNR1CNR2 | |
| SCHEMBL129857 | 0.76 | ALDH1A1 (0.46) | TSHRDNM1ALDH1A1CNR1CNR2 | |
| SCHEMBL28042753 | 0.76 | DNM1 (0.42) | TSHRDNM1ALDH1A1CNR1CNR2 |
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 |