Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CACNA1H | O95180 | 7/20 | 0.36 |
| ▸ | GPR139 | Q6DWJ6 | 1/20 | 0.35 |
| ▸ | KCNH2 | Q12809 | 4/20 | 0.34 |
| ▸ | TAS1R3 | Q7RTX0 | 1/20 | 0.34 |
| ▸ | TAS1R1 | Q7RTX1 | 1/20 | 0.34 |
| ▸ | TAS1R2 | Q8TE23 | 1/20 | 0.34 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.33 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.33 |
| ▸ | CACNA1I | Q9P0X4 | 2/20 | 0.32 |
| ▸ | CACNA1G | O43497 | 1/20 | 0.32 |
| ▸ | P2RX7 | Q99572 | 1/20 | 0.32 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.32 |
| ▸ | IDO1 | P14902 | 1/20 | 0.31 |
| ▸ | SMYD3 | Q9H7B4 | 1/20 | 0.31 |
| ▸ | TP53 | P04637 | 1/20 | 0.31 |
| ▸ | SCN5A | Q14524 | 1/20 | 0.31 |
| ▸ | METAP2 | P50579 | 1/20 | 0.30 |
| ▸ | WDR5 | P61964 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL5069616 | 0.95 | KCNH2 (0.38) | CACNA1HKCNH2CHRM1CHRM3CACNA1I | |
| SCHEMBL3046035 | 0.69 | KCNH2 (0.38) | CACNA1HGPR139KCNH2TAS1R3TAS1R1 | |
| SCHEMBL2882350 | 0.69 | KCNH2 (0.52) | CACNA1HKCNH2TAS1R3TAS1R1TAS1R2 | |
| SCHEMBL2881618 | 0.68 | KCNH2 (0.56) | CACNA1HKCNH2TAS1R3TAS1R1TAS1R2 | |
| SCHEMBL5069595 | 0.67 | KCNH2 (0.46) | CACNA1HGPR139KCNH2CACNA1IP2RX7 | |
| SCHEMBL5067713 | 0.66 | KCNH2 (0.47) | CACNA1HKCNH2CHRM1CHRM3CACNA1I | |
| SCHEMBL5069843 | 0.65 | CACNA1H (0.40) | CACNA1HKCNH2TAS1R3TAS1R1TAS1R2 | |
| SCHEMBL5072494 | 0.64 | KCNH2 (0.41) | CACNA1HKCNH2CHRM1CHRM3CACNA1I | |
| SCHEMBL5069850 | 0.63 | KCNH2 (0.40) | CACNA1HKCNH2CHRM1CHRM3CACNA1I | |
| SCHEMBL2886622 | 0.62 | KCNH2 (0.58) | CACNA1HKCNH2CACNA1IP2RX7CYP2D6 |
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 |