Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 4/20 | 0.39 |
| ▸ | CYP2C9 | P11712 | 3/20 | 0.39 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.39 |
| ▸ | NPC1 | O15118 | 4/20 | 0.38 |
| ▸ | RAB9A | P51151 | 4/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.38 |
| ▸ | NFKB1 | P19838 | 3/20 | 0.38 |
| ▸ | NFKB2 | Q00653 | 3/20 | 0.38 |
| ▸ | RELA | Q04206 | 3/20 | 0.38 |
| ▸ | HPGD | P15428 | 3/20 | 0.38 |
| ▸ | PKM | P14618 | 2/20 | 0.38 |
| ▸ | LIPC | P11150 | 2/20 | 0.38 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.37 |
| ▸ | S1PR1 | P21453 | 1/20 | 0.36 |
| ▸ | PLK1 | P53350 | 2/20 | 0.36 |
| ▸ | MEN1 | O00255 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.36 |
| ▸ | TP53 | P04637 | 1/20 | 0.36 |
| ▸ | TSHR | P16473 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL6259851 | 1.00 | CYP3A4 (0.39) | CYP3A4CYP2C9CYP1A2NPC1RAB9A | |
| SCHEMBL6615762 | 0.95 | CYP3A4 (0.38) | CYP3A4CYP2C9CYP1A2NPC1RAB9A | |
| SCHEMBL6612602 | 0.92 | CYP3A4 (0.48) | CYP3A4CYP2C9CYP1A2 | |
| SCHEMBL6257661 | 0.92 | CYP3A4 (0.48) | CYP3A4CYP2C9CYP1A2 | |
| SCHEMBL6256460 | 0.89 | CYP3A4 (0.38) | CYP3A4CYP2C9CYP1A2LIPCS1PR1 | |
| SCHEMBL6256837 | 0.87 | MAPT (0.37) | CYP3A4CYP2C9CYP1A2SMN1; SMN2LIPC | |
| SCHEMBL6613291 | 0.84 | CYP1A2 (0.42) | CYP3A4CYP2C9CYP1A2LIPC | |
| SCHEMBL6258490 | 0.84 | CYP1A2 (0.42) | CYP3A4CYP2C9CYP1A2LIPC | |
| SCHEMBL5965111 | 0.84 | CYP3A4 (0.53) | CYP3A4CYP2C9CYP1A2PKMKDM4E | |
| SCHEMBL5901541 | 0.84 | CYP3A4 (0.53) | CYP3A4CYP2C9CYP1A2PKMKDM4E |
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-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 |