Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CACNA1G | O43497 | 4/20 | 0.48 |
| ▸ | CACNA1H | O95180 | 4/20 | 0.48 |
| ▸ | CACNA1I | Q9P0X4 | 4/20 | 0.48 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.39 |
| ▸ | GAA | P10253 | 1/20 | 0.39 |
| ▸ | BRD4 | O60885 | 2/20 | 0.39 |
| ▸ | BCHE | P06276 | 6/20 | 0.38 |
| ▸ | ACHE | P22303 | 6/20 | 0.38 |
| ▸ | BACE1 | P56817 | 6/20 | 0.38 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.38 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.37 |
| ▸ | MTNR1A | P48039 | 2/20 | 0.37 |
| ▸ | MTNR1B | P49286 | 2/20 | 0.37 |
| ▸ | SIRT1 | Q96EB6 | 1/20 | 0.36 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL7999586 | 0.86 | BRD4 (0.39) | CACNA1GCACNA1HCACNA1IBRD4BCHE | |
| SCHEMBL8002826 | 0.77 | BCHE (0.44) | CACNA1GCACNA1HCACNA1IBCHEACHE | |
| SCHEMBL13625710 | 0.72 | BCHE (0.43) | CACNA1GCACNA1HCACNA1IBRD4BCHE | |
| SCHEMBL7992727 | 0.71 | BRD4 (0.50) | CACNA1GCACNA1HCACNA1IKDM4EBRD4 | |
| SCHEMBL7990909 | 0.64 | OPRL1 (0.35) | — | |
| SCHEMBL9437321 | 0.62 | ACHE (0.60) | BCHEACHEBACE1 | |
| SCHEMBL28305302 | 0.62 | KDM4E (0.58) | KDM4EGAABCHEACHEBACE1 | |
| SCHEMBL28169202 | 0.62 | CXCR4 (0.68) | BCHEACHEBACE1SIGMAR1 | |
| SCHEMBL1518407 | 0.61 | ACHE (0.47) | BCHEACHEBACE1SIGMAR1 | |
| SCHEMBL7999624 | 0.61 | LIPG (0.37) | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2009140769-A1 | 3, 4 - SUBSTITUTED PIPERIDINE DERIVATIVES AS RENIN INHIBITORS | MERCK FROSST CANADA LTD. (CA) | 2009-11-26 | — | — | WO | disclosed |