Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 1/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.38 |
| ▸ | PLA2G1B | P04054 | 1/20 | 0.38 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.38 |
| ▸ | CASP3 | P42574 | 1/20 | 0.38 |
| ▸ | RAB9A | P51151 | 1/20 | 0.38 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.38 |
| ▸ | RELA | Q04206 | 1/20 | 0.38 |
| ▸ | SENP8 | Q96LD8 | 1/20 | 0.38 |
| ▸ | SENP7 | Q9BQF6 | 1/20 | 0.38 |
| ▸ | SENP6 | Q9GZR1 | 1/20 | 0.38 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.38 |
| ▸ | ATG4B | Q9Y4P1 | 1/20 | 0.38 |
| ▸ | PDE2A | O00408 | 12/20 | 0.36 |
| ▸ | PDE10A | Q9Y233 | 5/20 | 0.36 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.33 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.33 |
| ▸ | CCR9 | P51686 | 1/20 | 0.33 |
| ▸ | FBP1 | P09467 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL12761407 | 0.84 | ALDH1A1 (0.38) | NPC1ALDH1A1PLA2G1BNFKB1CASP3 | |
| SCHEMBL15314638 | 0.82 | PDE2A (0.47) | NPC1ALDH1A1PLA2G1BNFKB1CASP3 | |
| SCHEMBL15314606 | 0.82 | NR1I2 (0.43) | — | |
| SCHEMBL19785388 | 0.80 | ALDH1A1 (0.47) | NPC1ALDH1A1PLA2G1BNFKB1CASP3 | |
| SCHEMBL12833184 | 0.80 | NPC1 (0.35) | NPC1ALDH1A1PLA2G1BNFKB1CASP3 | |
| SCHEMBL15314611 | 0.74 | LMNA (0.46) | NPC1NFKB1RAB9APDE2APDE10A | |
| SCHEMBL12761443 | 0.71 | PDE2A (0.47) | NPC1ALDH1A1PLA2G1BNFKB1CASP3 | |
| SCHEMBL12761477 | 0.70 | PDE2A (0.45) | NPC1ALDH1A1PLA2G1BNFKB1CASP3 | |
| SCHEMBL19785373 | 0.68 | ALDH1A1 (0.47) | NPC1ALDH1A1PLA2G1BNFKB1CASP3 | |
| SCHEMBL9912479 | 0.68 | TSHR (0.46) | NPC1ALDH1A1PLA2G1BNFKB1CASP3 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1971595-B1 | CETP INHIBITORS | MERCK SHARP & DOHME (US) | 2013-10-16 | — | — | EP | disclosed |