Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KCNH2 | Q12809 | 9/20 | 0.64 |
| ▸ | SCN5A | Q14524 | 1/20 | 0.54 |
| ▸ | CACNA1I | Q9P0X4 | 1/20 | 0.54 |
| ▸ | P2RX7 | Q99572 | 1/20 | 0.48 |
| ▸ | SMYD3 | Q9H7B4 | 1/20 | 0.44 |
| ▸ | CACNA1H | O95180 | 2/20 | 0.43 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.43 |
| ▸ | FABP4 | P15090 | 1/20 | 0.43 |
| ▸ | CCKBR | P32239 | 2/20 | 0.42 |
| ▸ | HTR1A | P08908 | 2/20 | 0.42 |
| ▸ | RAB9A | P51151 | 1/20 | 0.41 |
| ▸ | CHRNA7 | P36544 | 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 | |
|---|---|---|---|---|
| SCHEMBL2889178 | 0.83 | KCNH2 (0.73) | KCNH2SCN5ACACNA1IP2RX7CACNA1H | |
| SCHEMBL2886502 | 0.82 | KCNH2 (0.65) | KCNH2SCN5ACACNA1IP2RX7CACNA1H | |
| SCHEMBL2887799 | 0.82 | KCNH2 (0.79) | KCNH2SCN5ACACNA1IP2RX7CACNA1H | |
| SCHEMBL2889566 | 0.80 | KCNH2 (0.79) | KCNH2SCN5ACACNA1IP2RX7CACNA1H | |
| SCHEMBL2885705 | 0.80 | KCNH2 (0.73) | KCNH2SCN5ACACNA1IP2RX7CACNA1H | |
| SCHEMBL2881952 | 0.80 | KCNH2 (0.69) | KCNH2SCN5ACACNA1IP2RX7SMYD3 | |
| SCHEMBL2885274 | 0.80 | KCNH2 (0.59) | KCNH2SCN5ACACNA1IP2RX7CACNA1H | |
| SCHEMBL2881082 | 0.79 | KCNH2 (0.74) | KCNH2SCN5ACACNA1IP2RX7CACNA1H | |
| SCHEMBL2886760 | 0.79 | KCNH2 (0.64) | KCNH2SCN5ACACNA1IP2RX7CACNA1H | |
| SCHEMBL14693995 | 0.78 | KCNH2 (0.44) | KCNH2SMYD3 |
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 | disclosed |
| WO-2007002884-A2 | 4-FLUORO-PIPERIDINE T-TYPE CALCIUM CHANNEL ANTAGONISTS | MERCK & CO., INC. (US) | 2007-01-04 | — | — | WO | disclosed |