Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KCNH2 | Q12809 | 2/20 | 0.44 |
| ▸ | CYP2A13 | Q16696 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.40 |
| ▸ | CACNA1G | O43497 | 2/20 | 0.38 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.37 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.37 |
| ▸ | MAPT | P10636 | 1/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.37 |
| ▸ | CACNA1I | Q9P0X4 | 1/20 | 0.37 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.36 |
| ▸ | POLB | P06746 | 1/20 | 0.36 |
| ▸ | TSHR | P16473 | 1/20 | 0.36 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.35 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.35 |
| ▸ | S1PR5 | Q9H228 | 2/20 | 0.35 |
| ▸ | LMNA | P02545 | 1/20 | 0.35 |
| ▸ | GAA | P10253 | 1/20 | 0.35 |
| ▸ | S1PR1 | P21453 | 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 | |
|---|---|---|---|---|
| SCHEMBL5134459 | 0.76 | KCNH2 (0.47) | KCNH2ALDH1A1CACNA1IGAA | |
| SCHEMBL5072469 | 0.76 | KCNH2 (0.51) | KCNH2KMT2ACACNA1IOPRM1LMNA | |
| SCHEMBL12709637 | 0.73 | CYP2A13 (0.57) | KCNH2CYP2A13ALDH1A1CACNA1GALOX15 | |
| SCHEMBL2882218 | 0.73 | KCNH2 (0.54) | KCNH2ALDH1A1CACNA1ISIGMAR1GAA | |
| SCHEMBL2885711 | 0.72 | KCNH2 (0.53) | KCNH2ALDH1A1CACNA1ISMN1; SMN2SIGMAR1 | |
| SCHEMBL12561924 | 0.69 | TAAR1 (0.61) | CYP2A13ALDH1A1TDP1KMT2ATAAR1 | |
| SCHEMBL14608742 | 0.68 | CYP2A13 (0.64) | KCNH2CYP2A13ALDH1A1CACNA1GALOX15 | |
| SCHEMBL6984300 | 0.66 | TAAR1 (0.55) | CYP2A13TDP1MAPTKMT2ATAAR1 | |
| SCHEMBL2882537 | 0.65 | KCNH2 (0.80) | KCNH2CACNA1GCACNA1IPOLB | |
| SCHEMBL10202969 | 0.65 | KCNH2 (0.43) | KCNH2ALOX15CACNA1I |
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 5 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 |
| EP-1901746-B1 | 4-FLUORO-PIPERIDINE T-TYPE CALCIUM CHANNEL ANTAGONISTS | MERCK SHARP & DOHME (US) | 2013-02-20 | — | — | EP | disclosed |
| 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 |