Predicted protein targets (top 6)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 2/20 | 0.41 |
| ▸ | NPC1 | O15118 | 1/20 | 0.40 |
| ▸ | RAB9A | P51151 | 1/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.40 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.39 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL6028975 | 1.00 | CYP3A4 (0.41) | CYP3A4NPC1RAB9ASMN1; SMN2CYP1A2 | |
| Hydrochloric Acid SCHEMBL6260848 | 0.99 | CYP3A4 (0.40) | CYP3A4NPC1RAB9ASMN1; SMN2CYP1A2 | |
| SCHEMBL6260736 | 0.89 | CYP3A4 (0.44) | CYP3A4NPC1RAB9ASMN1; SMN2CYP1A2 | |
| SCHEMBL6261220 | 0.88 | CYP3A4 (0.41) | CYP3A4CYP1A2CYP2C9 | |
| SCHEMBL6195656 | 0.86 | CYP3A4 (0.38) | CYP3A4NPC1RAB9ASMN1; SMN2CYP1A2 | |
| SCHEMBL6029855 | 0.84 | CYP3A4 (0.38) | CYP3A4NPC1RAB9ASMN1; SMN2CYP1A2 | |
| SCHEMBL5743703 | 0.84 | CYP3A4 (0.38) | CYP3A4NPC1RAB9ASMN1; SMN2CYP1A2 | |
| SCHEMBL6614853 | 0.84 | RAB9A (0.43) | CYP3A4NPC1RAB9ASMN1; SMN2CYP1A2 | |
| SCHEMBL6256455 | 0.83 | LMNA (0.43) | NPC1RAB9ASMN1; SMN2 | |
| SCHEMBL6029538 | 0.82 | CYP3A4 (0.45) | CYP3A4CYP1A2CYP2C9 |
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 10 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1723129-A1 | 1-AKAN-2-OL SUBSTITUTED PIPERAZINE AND PIPERIDINE COMPOUNDS | CV THERAPEUTICS, INC. (US) | 2006-11-22 | — | — | EP | disclosed |
| EP-1644345-A1 | UREA DERIVATIVES OF PIPERAZINES AND PIPERIDINES AS FATTY ACID OXIDATION INHIBITORS | CV THERAPEUTICS, INC. (US) | 2006-04-12 | — | — | EP | disclosed |
| EP-1583751-A1 | SUBSTITUTED HETEROCYCLIC COMPOUNDS USEFUL IN THE TREATMENT OF CARDIOVASCULAR DISEASES | CV THERAPEUTICS, INC. (US) | 2005-10-12 | — | — | EP | disclosed |
| EP-1583760-A2 | SUBSTITUTED HETEROCYCLIC COMPOUNDS | CV Therapeutics Inc. (US) | 2005-10-12 | — | — | EP | disclosed |
| WO-2005061470-A1 | 1-AKAN-2-OL SUBSTITUTED PIPERAZINE AND PIPERIDINE COMPOUNDS | CV THERAPEUTICS, INC. (US) | 2005-07-07 | — | — | WO | disclosed |
| WO-2005000826-A1 | UREA DERIVATIVES OF PIPERAZINES AND PIPERIDINES AS FATTY ACID OXIDATION INHIBITORS | CV THERAPEUTICS, INC. (US) | 2005-01-06 | — | — | WO | disclosed |
| WO-2004069818-A1 | SUBSTITUTED HETEROCYCLIC COMPOUNDS USEFUL IN THE TREATMENT OF CARDIOVASCULAR DISEASES | CV THERAPEUTICS INC. (US) | 2004-08-19 | — | — | WO | disclosed |
| WO-2004067506-A2 | SUBSTITUTED HETEROCYCLIC COMPOUNDS | CV THERAPEUTICS INC. (US) | 2004-08-12 | — | — | WO | disclosed |
| EP-1406898-A1 | SUBSTITUTED PIPERAZINE COMPOUNDS AND THEIR USE AS FATTY ACID OXIDATION INHIBITORS | CV THERAPEUTICS, INC. (US) | 2004-04-14 | — | — | EP | disclosed |
| WO-2003008411-A1 | SUBSTITUTED PIPERAZINE COMPOUNDS AND THEIR USE AS FATTY ACID OXIDATION INHIBITORS | CV THERAPEUTICS, INC. (US) | 2003-01-30 | — | — | WO | disclosed |