Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | LTA4H | P09960 | 2/20 | 0.53 |
| ▸ | TTR | P02766 | 1/20 | 0.45 |
| ▸ | CYP11B1 | P15538 | 1/20 | 0.41 |
| ▸ | CYP11B2 | P19099 | 1/20 | 0.41 |
| ▸ | GRIN1 | Q05586 | 1/20 | 0.40 |
| ▸ | GRIN2B | Q13224 | 1/20 | 0.40 |
| ▸ | MAOB | P27338 | 1/20 | 0.40 |
| ▸ | TSHR | P16473 | 2/20 | 0.40 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.40 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.39 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.39 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.39 |
| ▸ | PGR | P06401 | 2/20 | 0.39 |
| ▸ | NR3C1 | P04150 | 1/20 | 0.39 |
| ▸ | FFAR1 | O14842 | 1/20 | 0.38 |
| ▸ | MEN1 | O00255 | 2/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.38 |
| ▸ | CYP2C9 | P11712 | 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 | |
|---|---|---|---|---|
| SCHEMBL2349223 | 0.86 | LTA4H (0.69) | LTA4HTTRMAOBTSHRHSD17B10 | |
| SCHEMBL7070717 | 0.79 | MEN1 (0.50) | LTA4HMAOBTSHRHSD17B10SLC6A2 | |
| SCHEMBL15494643 | 0.79 | CYP11B1 (0.48) | LTA4HCYP11B1CYP11B2TSHRHSD17B10 | |
| SCHEMBL3164499 | 0.77 | LTA4H (0.58) | LTA4HTTRCYP11B1CYP11B2GRIN1 | |
| SCHEMBL3174815 | 0.77 | CYP11B1 (0.56) | LTA4HTTRCYP11B1CYP11B2MAOB | |
| SCHEMBL29815800 | 0.77 | CYP11B1 (0.56) | LTA4HTTRCYP11B1CYP11B2MAOB | |
| SCHEMBL2351067 | 0.76 | LTA4H (0.60) | LTA4HTTRTSHRHSD17B10FFAR1 | |
| SCHEMBL4695771 | 0.76 | ALDH1A1 (0.41) | MAOBALDH1A1RAB9A | |
| SCHEMBL3556340 | 0.75 | RXRA (0.41) | CYP11B1CYP11B2CYP1A2CYP2C9CYP2C19 | |
| SCHEMBL17608800 | 0.75 | TSHR (0.43) | LTA4HGRIN1GRIN2BTSHRHSD17B10 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0109681-A2 | process for the preparation of optically-active cyanomethyl esters | E.I. DU PONT DE NEMOURS AND COMPANY (US) | 1984-05-30 | — | — | EP | disclosed |