Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CES1 | P23141 | 2/20 | 0.39 |
| ▸ | CES2 | O00748 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.36 |
| ▸ | TP53 | P04637 | 1/20 | 0.36 |
| ▸ | MAPT | P10636 | 2/20 | 0.35 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.35 |
| ▸ | DDAH1 | O94760 | 1/20 | 0.35 |
| ▸ | GAPDH | P04406 | 1/20 | 0.35 |
| ▸ | CA1 | P00915 | 1/20 | 0.35 |
| ▸ | SPHK1 | Q9NYA1 | 1/20 | 0.34 |
| ▸ | TSHR | P16473 | 1/20 | 0.33 |
| ▸ | ACHE | P22303 | 1/20 | 0.32 |
| ▸ | BACE1 | P56817 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL29096384 | 0.81 | CES1 (0.38) | CES1CES2ALDH1A1TP53MAPT | |
| SCHEMBL27877068 | 0.79 | OPRM1 (0.39) | CES1CES2ALDH1A1TP53DDAH1 | |
| SCHEMBL6279642 | 0.74 | CES1 (0.42) | CES1CES2ALDH1A1TP53CA1 | |
| SCHEMBL11990709 | 0.74 | CES1 (0.43) | CES1CES2ALDH1A1TP53TRPA1 | |
| SCHEMBL9834930 | 0.73 | CA1 (0.43) | CES1CES2ALDH1A1TP53MAPT | |
| SCHEMBL9834925 | 0.73 | CA1 (0.43) | CES1CES2ALDH1A1TP53MAPT | |
| SCHEMBL27871263 | 0.70 | MAPT (0.41) | CES1CES2ALDH1A1MAPTTSHR | |
| SCHEMBL8162882 | 0.69 | — | — | |
| SCHEMBL9298343 | 0.69 | — | — | |
| SCHEMBL5102727 | 0.69 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| US-5905072-A | ADJUVANTS OF WATER, FATTY ESTERS, ANIONIC AND NONIONIC SURFACTANTS | ISAGRO S.P.A. (IT) | 1999-05-18 | — | — | US | disclosed |
| EP-0729700-A2 | Adjuvants for systemic fungicides, fungicidal compositions which contain them and their use | ISAGRO S.p.A. (IT) | 1996-09-04 | — | — | EP | disclosed |