Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.47 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.44 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.41 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.41 |
| ▸ | RECQL | P46063 | 2/20 | 0.39 |
| ▸ | PPARG | P37231 | 1/20 | 0.39 |
| ▸ | PPARA | Q07869 | 1/20 | 0.39 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.38 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.38 |
| ▸ | LMNA | P02545 | 2/20 | 0.38 |
| ▸ | FDPS | P14324 | 1/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.37 |
| ▸ | MMP8 | P22894 | 3/20 | 0.36 |
| ▸ | CES2 | O00748 | 1/20 | 0.36 |
| ▸ | CES1 | P23141 | 1/20 | 0.36 |
| ▸ | AKR1B1 | P15121 | 1/20 | 0.36 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.36 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL10419786 | 0.85 | SMN1; SMN2 (0.57) | SMN1; SMN2HIF1AALDH1A1CYP2C9CYP2C19 | |
| SCHEMBL7293161 | 0.81 | ALDH1A1 (0.51) | ALDH1A1RECQLSLC6A2LMNAMMP8 | |
| SCHEMBL7290666 | 0.79 | HIF1A (0.47) | SMN1; SMN2HIF1AALDH1A1CYP2C9CYP2C19 | |
| SCHEMBL3875184 | 0.76 | SMN1; SMN2 (0.44) | SMN1; SMN2HIF1AALDH1A1MAPTARG1 | |
| SCHEMBL11543629 | 0.76 | ALDH1A1 (0.49) | SMN1; SMN2HIF1AALDH1A1CYP2C9CYP2C19 | |
| SCHEMBL9472890 | 0.75 | SMN1; SMN2 (0.52) | SMN1; SMN2HIF1AALDH1A1CYP2C9CYP2C19 | |
| SCHEMBL3342965 | 0.73 | SMN1; SMN2 (0.53) | SMN1; SMN2HIF1AALDH1A1CYP2C9CYP2C19 | |
| SCHEMBL28952912 | 0.72 | SMN1; SMN2 (0.57) | SMN1; SMN2HIF1AALDH1A1CYP2C9CYP2C19 | |
| SCHEMBL20608244 | 0.71 | ALDH1A1 (0.48) | SMN1; SMN2HIF1AALDH1A1CYP2C9CYP2C19 | |
| SCHEMBL20608245 | 0.71 | ALDH1A1 (0.48) | SMN1; SMN2HIF1AALDH1A1CYP2C9CYP2C19 |
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 |
|---|---|---|---|---|---|---|---|
| CN-103755611-A | Preparation method of racecadotril | SHAANXI HANJIANG PHARMACEUTICAL CROUP CO LTD | 2014-04-30 | — | — | CN | disclosed |
| WO-1992013552-A1 | ANTI-AGGREGATORY PEPTIDES CONTAINING AN AROMATIC ESTER OR AMIDE | SMITHKLINE BEECHAM CORPORATION (US) | 1992-08-20 | — | — | WO | disclosed |