Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2C19 | P33261 | 1/20 | 0.46 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.46 |
| ▸ | SIGMAR1 | Q99720 | 5/20 | 0.43 |
| ▸ | DPP7 | Q9UHL4 | 1/20 | 0.42 |
| ▸ | GAA | P10253 | 1/20 | 0.42 |
| ▸ | MEN1 | O00255 | 2/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.42 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.41 |
| ▸ | LMNA | P02545 | 1/20 | 0.41 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.41 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.41 |
| ▸ | POLB | P06746 | 1/20 | 0.41 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.41 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.41 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.41 |
| ▸ | MAOA | P21397 | 1/20 | 0.40 |
| ▸ | MAOB | P27338 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL5144757 | 0.99 | CYP2C19 (0.45) | CYP2C19SMN1; SMN2SIGMAR1DPP7GAA | |
| SCHEMBL4835617 | 0.86 | CYP2C19 (0.45) | CYP2C19SMN1; SMN2SIGMAR1DPP7GAA | |
| Hydrochloric Acid SCHEMBL5141138 | 0.86 | CYP2C19 (0.45) | CYP2C19SMN1; SMN2SIGMAR1DPP7GAA | |
| SCHEMBL7039380 | 0.82 | CYP2C19 (0.49) | CYP2C19SMN1; SMN2SIGMAR1DPP7MEN1 | |
| SCHEMBL5124000 | 0.82 | CYP2C19 (0.47) | CYP2C19SMN1; SMN2SIGMAR1DPP7GAA | |
| SCHEMBL5118865 | 0.82 | CYP2C19 (0.43) | CYP2C19SMN1; SMN2SIGMAR1DPP7GAA | |
| Hydrochloric Acid SCHEMBL5144751 | 0.81 | CYP2C19 (0.48) | CYP2C19SMN1; SMN2SIGMAR1DPP7MEN1 | |
| SCHEMBL5117679 | 0.79 | CACNA1G (0.42) | SIGMAR1ALDH1A1 | |
| SCHEMBL7039415 | 0.79 | SIGMAR1 (0.44) | SMN1; SMN2SIGMAR1ALDH1A1 | |
| Hydrochloric Acid SCHEMBL5144791 | 0.78 | SIGMAR1 (0.43) | SMN1; SMN2SIGMAR1ALDH1A1 |
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-6605608-B1 | Such as n-(1-benzylpiperidin-4-yl)-3-cyclohexylmethylthio-2-((4R)-3-t -butoxycarbonylthiazolidin-4-ylcarbonylamino)propan-a mide; n-type calcium channel inhibitors | ONO PHARMACEUTICAL CO., LTD (JP) | 2003-08-12 | — | — | US | claimed |
| EP-1090912-A1 | AMINO ACID DERIVATIVES AND DRUGS CONTAINING THE SAME AS THE ACTIVE INGREDIENT | ONO PHARMACEUTICAL CO., LTD. (JP) | 2001-04-11 | — | — | EP | claimed |