Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | RAB9A | P51151 | 6/20 | 0.43 |
| ▸ | SMN1; SMN2 | Q16637 | 6/20 | 0.43 |
| ▸ | NPC1 | O15118 | 5/20 | 0.43 |
| ▸ | NFKB1 | P19838 | 5/20 | 0.43 |
| ▸ | NFKB2 | Q00653 | 5/20 | 0.43 |
| ▸ | RELA | Q04206 | 5/20 | 0.43 |
| ▸ | PKM | P14618 | 3/20 | 0.43 |
| ▸ | HPGD | P15428 | 3/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.42 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.42 |
| ▸ | STAT1 | P42224 | 1/20 | 0.41 |
| ▸ | MEN1 | O00255 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.39 |
| ▸ | TP53 | P04637 | 1/20 | 0.39 |
| ▸ | TSHR | P16473 | 1/20 | 0.39 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.39 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.39 |
| ▸ | DYRK1A | Q13627 | 4/20 | 0.38 |
| ▸ | HDAC6 | Q9UBN7 | 2/20 | 0.38 |
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 | 0.84 | CYP3A4 (0.41) | RAB9ASMN1; SMN2NPC1CYP1A2CYP3A4 | |
| SCHEMBL5746249 | 0.84 | CYP3A4 (0.41) | RAB9ASMN1; SMN2NPC1CYP1A2CYP3A4 | |
| Hydrochloric Acid SCHEMBL6260848 | 0.83 | CYP3A4 (0.40) | RAB9ASMN1; SMN2NPC1CYP1A2CYP3A4 | |
| SCHEMBL6617841 | 0.79 | CYP3A4 (0.39) | RAB9ASMN1; SMN2NPC1NFKB1NFKB2 | |
| SCHEMBL6259851 | 0.79 | CYP3A4 (0.39) | RAB9ASMN1; SMN2NPC1NFKB1NFKB2 | |
| SCHEMBL6192336 | 0.79 | PRMT5 (0.46) | RAB9ASMN1; SMN2NPC1NFKB1NFKB2 | |
| SCHEMBL6256455 | 0.78 | LMNA (0.43) | RAB9ASMN1; SMN2NPC1MEN1ALDH1A1 | |
| SCHEMBL6192478 | 0.78 | ACSL1 (0.47) | RAB9ASMN1; SMN2NPC1NFKB1NFKB2 | |
| SCHEMBL6614292 | 0.76 | NR1H4 (0.43) | CYP1A2CYP3A4CYP2C9 | |
| SCHEMBL6615762 | 0.76 | CYP3A4 (0.38) | RAB9ASMN1; SMN2NPC1NFKB1NFKB2 |
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 |