Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2D6 | P10635 | 1/20 | 0.48 |
| ▸ | MAPT | P10636 | 2/20 | 0.41 |
| ▸ | CACNA1G | O43497 | 2/20 | 0.41 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.41 |
| ▸ | LMNA | P02545 | 3/20 | 0.41 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.41 |
| ▸ | IDO1 | P14902 | 1/20 | 0.41 |
| ▸ | HTT | P42858 | 1/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.40 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.40 |
| ▸ | MEN1 | O00255 | 1/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.39 |
| ▸ | POLB | P06746 | 2/20 | 0.39 |
| ▸ | GSK3B | P49841 | 1/20 | 0.38 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.38 |
| ▸ | CFTR | P13569 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL6261178 | 0.90 | MEN1 (0.47) | CYP2D6MAPTCACNA1GKCNH2LMNA | |
| SCHEMBL6256607 | 0.90 | CYP2D6 (0.47) | CYP2D6MAPTCACNA1GKCNH2LMNA | |
| SCHEMBL6188797 | 0.89 | CYP2D6 (0.55) | CYP2D6MAPTCACNA1GKCNH2LMNA | |
| SCHEMBL5226751 | 0.85 | CYP2D6 (0.54) | CYP2D6MAPTCACNA1GKCNH2LMNA | |
| SCHEMBL5224759 | 0.82 | CYP1A2 (0.48) | CYP2D6MAPTCACNA1GKCNH2LMNA | |
| SCHEMBL4510340 | 0.78 | MEN1 (0.50) | CYP2D6LMNAHTTSMN1; SMN2MEN1 | |
| SCHEMBL6258338 | 0.75 | KCNH2 (0.47) | CYP2D6MAPTCACNA1GKCNH2LMNA | |
| SCHEMBL4511466 | 0.75 | MEN1 (0.54) | CYP2D6LMNAMAPK1HTTKDM4E | |
| SCHEMBL5225645 | 0.74 | CYP1A2 (0.48) | CYP2D6MAPTLMNAMAPK1HTT | |
| SCHEMBL5221069 | 0.73 | MEN1 (0.49) | CYP2D6MAPTCACNA1GKCNH2LMNA |
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-1806346-A1 | Substituted piperazine compounds and their use as fatty acid oxidation inhibitors | CV THERAPEUTICS, INC. (US) | 2007-07-11 | — | — | EP | disclosed |
| EP-1578737-A1 | SUBSTITUTED HETEROCYCLIC COMPOUNDS | CV THERAPEUTICS, INC. (US) | 2005-09-28 | — | — | EP | disclosed |
| EP-1567525-A2 | SUBSTITUTED PIPERAZINE COMPOUNDS AND THEIR USE AS FATTY ACID OXIDATION INHIBITORS | CV THERAPEUTICS, INC. (US) | 2005-08-31 | — | — | EP | disclosed |
| WO-2004063180-A1 | SUBSTITUTED HETEROCYCLIC COMPOUNDS | CV THERAPEUTICS, INC. (US) | 2004-07-29 | — | — | WO | disclosed |
| WO-2004052887-A2 | SUBSTITUTED PIPERAZINE COMPOUNDS AND THEIR USE AS FATTY ACID OXIDATION INHIBITORS | CV THERAPEUTICS, INC. (US) | 2004-06-24 | — | — | WO | disclosed |