Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2C19 | P33261 | 1/20 | 0.49 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.49 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.45 |
| ▸ | CACNA1B | Q00975 | 1/20 | 0.44 |
| ▸ | REN | P00797 | 1/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.42 |
| ▸ | CCR4 | P51679 | 2/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.41 |
| ▸ | ACE | P12821 | 1/20 | 0.41 |
| ▸ | MEN1 | O00255 | 2/20 | 0.41 |
| ▸ | TSHR | P16473 | 1/20 | 0.41 |
| ▸ | DPP7 | Q9UHL4 | 1/20 | 0.40 |
| ▸ | KLK5 | Q9Y337 | 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 | |
|---|---|---|---|---|
| SCHEMBL7204463 | 1.00 | CYP2C19 (0.49) | CYP2C19SMN1; SMN2L3MBTL1CACNA1BREN | |
| Hydrochloric Acid SCHEMBL5113570 | 0.99 | CYP2C19 (0.48) | CYP2C19SMN1; SMN2L3MBTL1CACNA1BREN | |
| Hydrochloric Acid SCHEMBL5113567 | 0.99 | CYP2C19 (0.48) | CYP2C19SMN1; SMN2L3MBTL1CACNA1BREN | |
| SCHEMBL7038377 | 0.98 | CYP2C19 (0.49) | CYP2C19SMN1; SMN2L3MBTL1CACNA1BREN | |
| SCHEMBL7038374 | 0.98 | CYP2C19 (0.49) | CYP2C19SMN1; SMN2L3MBTL1CACNA1BREN | |
| Hydrochloric Acid SCHEMBL5114275 | 0.98 | CYP2C19 (0.48) | CYP2C19SMN1; SMN2L3MBTL1CACNA1BREN | |
| Hydrochloric Acid SCHEMBL5114282 | 0.98 | CYP2C19 (0.48) | CYP2C19SMN1; SMN2L3MBTL1CACNA1BREN | |
| SCHEMBL14210091 | 0.92 | CACNA1B (0.48) | CYP2C19SMN1; SMN2L3MBTL1CACNA1BREN | |
| SCHEMBL5123981 | 0.91 | CACNA1B (0.48) | CYP2C19SMN1; SMN2L3MBTL1CACNA1BREN | |
| SCHEMBL5110947 | 0.91 | CYP2C19 (0.46) | CYP2C19SMN1; SMN2L3MBTL1CACNA1BREN |
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 |