Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.33 |
| ▸ | MGLL | Q99685 | 1/20 | 0.32 |
| ▸ | TSHR | P16473 | 4/20 | 0.32 |
| ▸ | CA1 | P00915 | 2/20 | 0.30 |
| ▸ | CA2 | P00918 | 2/20 | 0.30 |
| ▸ | CA9 | Q16790 | 2/20 | 0.30 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.30 |
| ▸ | CA12 | O43570 | 1/20 | 0.30 |
| ▸ | GLA | P06280 | 1/20 | 0.30 |
| ▸ | CA3 | P07451 | 1/20 | 0.30 |
| ▸ | CA4 | P22748 | 1/20 | 0.30 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.30 |
| ▸ | LMNA | P02545 | 1/20 | 0.30 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.30 |
| ▸ | ACHE | P22303 | 1/20 | 0.30 |
| ▸ | CA7 | P43166 | 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 | |
|---|---|---|---|---|
| SCHEMBL29858810 | 0.89 | ALDH1A1 (0.40) | ALDH1A1MGLLTSHRCA1CA2 | |
| SCHEMBL124009 | 0.89 | ALDH1A1 (0.40) | ALDH1A1MGLLTSHRCA1CA2 | |
| Bromide SCHEMBL1029052 | 0.86 | ALDH1A1 (0.38) | ALDH1A1MGLLTSHRCA1CA2 | |
| Fluoride SCHEMBL1032387 | 0.86 | ALDH1A1 (0.38) | ALDH1A1MGLLTSHRCA1CA2 | |
| Water SCHEMBL247519 | 0.86 | ALDH1A1 (0.38) | ALDH1A1MGLLTSHRCA1CA2 | |
| SCHEMBL414674 | 0.86 | ALDH1A1 (0.38) | ALDH1A1MGLLTSHRCA1CA2 | |
| Hydrochloric Acid SCHEMBL153662 | 0.86 | ALDH1A1 (0.38) | ALDH1A1MGLLTSHRCA1CA2 | |
| Iodide SCHEMBL1030211 | 0.86 | ALDH1A1 (0.38) | ALDH1A1MGLLTSHRCA1CA2 | |
| SCHEMBL9064903 | 0.86 | ALDH1A1 (0.38) | ALDH1A1MGLLTSHRCA1CA2 | |
| SCHEMBL10938098 | 0.86 | ALDH1A1 (0.38) | ALDH1A1MGLLTSHRCA1CA2 |
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-0510689-A1 | Hydrocyanation of pentenenitriles using cyanohydrins | E.I. DU PONT DE NEMOURS AND COMPANY (US) | 1992-10-28 | — | — | EP | claimed |
| US-5107012-A | Using an additive to promote dissociation of the cyanohydrin, a nickel complex catalyst and catalyst promoter; slurrying | E. I. DU PONT DE NEMOURS AND COMPANY (US) | 1992-04-21 | — | — | US | claimed |