Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KCNH2 | Q12809 | 10/20 | 0.46 |
| ▸ | P2RX7 | Q99572 | 1/20 | 0.44 |
| ▸ | CACNA1I | Q9P0X4 | 4/20 | 0.40 |
| ▸ | CACNA1H | O95180 | 2/20 | 0.39 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.39 |
| ▸ | RAB9A | P51151 | 1/20 | 0.38 |
| ▸ | GPR139 | Q6DWJ6 | 1/20 | 0.38 |
| ▸ | SCN5A | Q14524 | 1/20 | 0.38 |
| ▸ | TP53 | P04637 | 1/20 | 0.37 |
| ▸ | SMYD3 | Q9H7B4 | 1/20 | 0.37 |
| ▸ | GRN | P28799 | 1/20 | 0.37 |
| ▸ | SORT1 | Q99523 | 1/20 | 0.37 |
| ▸ | MCHR1 | Q99705 | 1/20 | 0.37 |
| ▸ | FABP4 | P15090 | 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 | |
|---|---|---|---|---|
| SCHEMBL5072494 | 0.79 | KCNH2 (0.41) | KCNH2P2RX7CACNA1ICACNA1HCYP2D6 | |
| SCHEMBL5069850 | 0.79 | KCNH2 (0.40) | KCNH2P2RX7CACNA1ICACNA1HCYP2D6 | |
| SCHEMBL5072499 | 0.77 | P2RX7 (0.41) | KCNH2P2RX7CACNA1ICACNA1HCYP2D6 | |
| SCHEMBL5067685 | 0.77 | P2RX7 (0.39) | KCNH2P2RX7CYP2D6RAB9AGPR139 | |
| SCHEMBL5069602 | 0.76 | KCNH2 (0.39) | KCNH2P2RX7CACNA1ICACNA1HCYP2D6 | |
| SCHEMBL5072475 | 0.74 | KCNH2 (0.37) | KCNH2P2RX7CACNA1ICYP2D6RAB9A | |
| SCHEMBL5069860 | 0.73 | KCNH2 (0.41) | KCNH2P2RX7CACNA1ICACNA1HCYP2D6 | |
| SCHEMBL5067713 | 0.72 | KCNH2 (0.47) | KCNH2P2RX7CACNA1ICACNA1HCYP2D6 | |
| SCHEMBL5069616 | 0.71 | KCNH2 (0.38) | KCNH2P2RX7CACNA1ICACNA1HCYP2D6 | |
| SCHEMBL18094615 | 0.71 | HTR3E (0.45) | P2RX7RAB9A |
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 |
|---|---|---|---|---|---|---|---|
| EP-1901746-A2 | 4-FLUORO-PIPERIDINE T-TYPE CALCIUM CHANNEL ANTAGONISTS | Merck & Co., Inc. (US) | 2008-03-26 | — | — | EP | claimed |
| WO-2007002884-A2 | 4-FLUORO-PIPERIDINE T-TYPE CALCIUM CHANNEL ANTAGONISTS | MERCK & CO., INC. (US) | 2007-01-04 | — | — | WO | claimed |