Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PARP1 | P09874 | 1/20 | 0.51 |
| ▸ | KCNH2 | Q12809 | 4/20 | 0.47 |
| ▸ | KIF11 | P52732 | 2/20 | 0.47 |
| ▸ | SLC6A4 | P31645 | 8/20 | 0.46 |
| ▸ | SLC6A2 | P23975 | 6/20 | 0.46 |
| ▸ | CES2 | O00748 | 2/20 | 0.45 |
| ▸ | CES1 | P23141 | 2/20 | 0.45 |
| ▸ | SLC6A3 | Q01959 | 3/20 | 0.45 |
| ▸ | DPP4 | P27487 | 3/20 | 0.42 |
| ▸ | DPP9 | Q86TI2 | 3/20 | 0.42 |
| ▸ | DPP7 | Q9UHL4 | 3/20 | 0.42 |
| ▸ | DPP8 | Q6V1X1 | 2/20 | 0.42 |
| ▸ | TAS1R3 | Q7RTX0 | 1/20 | 0.40 |
| ▸ | TAS1R1 | Q7RTX1 | 1/20 | 0.40 |
| ▸ | TAS1R2 | Q8TE23 | 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 | |
|---|---|---|---|---|
| SCHEMBL28633494 | 0.82 | SMO (0.53) | SLC6A4SLC6A2SLC6A3 | |
| SCHEMBL28646233 | 0.81 | CCR5 (0.51) | KCNH2KIF11SLC6A4SLC6A2SLC6A3 | |
| SCHEMBL30323082 | 0.77 | CES2 (0.52) | CES2CES1 | |
| SCHEMBL20524724 | 0.77 | CES2 (0.52) | CES2CES1 | |
| Hydrochloric Acid SCHEMBL15567881 | 0.76 | CES2 (0.50) | CES2CES1 | |
| Hydrochloric Acid SCHEMBL31196625 | 0.76 | CES2 (0.50) | CES2CES1 | |
| SCHEMBL31270828 | 0.74 | CES2 (0.61) | CES2CES1TAS1R3TAS1R1TAS1R2 | |
| SCHEMBL8566777 | 0.74 | CES2 (0.61) | CES2CES1TAS1R3TAS1R1TAS1R2 | |
| SCHEMBL10107580 | 0.73 | SLC6A4 (0.64) | KCNH2SLC6A4SLC6A2SLC6A3 | |
| SCHEMBL4154297 | 0.72 | HPGD (0.54) | KCNH2 |
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 |