Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ERN1 | O75460 | 6/20 | 0.43 |
| ▸ | PADI4 | Q9UM07 | 1/20 | 0.38 |
| ▸ | HPRT1 | P00492 | 1/20 | 0.37 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.37 |
| ▸ | MAPT | P10636 | 2/20 | 0.37 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.37 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.37 |
| ▸ | CYP2A6 | P11509 | 3/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.35 |
| ▸ | CYP1B1 | Q16678 | 2/20 | 0.35 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.35 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.35 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.35 |
| ▸ | NPC1 | O15118 | 1/20 | 0.35 |
| ▸ | RAB9A | P51151 | 1/20 | 0.35 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.35 |
| ▸ | CYP1A1 | P04798 | 1/20 | 0.35 |
| ▸ | HTT | P42858 | 1/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.34 |
| ▸ | MEN1 | O00255 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL23043412 | 0.81 | ERN1 (0.41) | ERN1PADI4HPRT1CYP1A2MAPT | |
| SCHEMBL27723147 | 0.80 | ERN1 (0.43) | ERN1PADI4HPRT1CYP1A2MAPT | |
| SCHEMBL29388184 | 0.74 | ERN1 (0.57) | ERN1PADI4CYP1A2MAPTCYP2C19 | |
| SCHEMBL30366616 | 0.74 | HPRT1 (0.45) | HPRT1CYP1A2CYP2C19CYP2A6ALDH1A1 | |
| SCHEMBL1249585 | 0.74 | HPRT1 (0.45) | HPRT1CYP1A2CYP2C19CYP2A6ALDH1A1 | |
| SCHEMBL342278 | 0.74 | ERN1 (0.57) | ERN1PADI4CYP1A2MAPTCYP2C19 | |
| SCHEMBL10348702 | 0.73 | ERN1 (0.55) | ERN1PADI4CYP1A2MAPTCYP2C19 | |
| SCHEMBL11041721 | 0.72 | ERN1 (0.60) | ERN1PADI4HPRT1CYP1A2MAPT | |
| SCHEMBL28462492 | 0.72 | MEN1 (0.44) | CYP1A2MAPTCYP2C19CYP2C9ALDH1A1 | |
| SCHEMBL1161028 | 0.72 | ERN1 (0.49) | ERN1CYP1A2MAPTCYP2A6CYP1B1 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2010014541-A2 | COMPOSITIONS AND METHODS FOR TREATMENT OF HYPERCHOLESTEROLEMIA | ALNARA PHARMACEUTICALS, INC. (US) | 2010-02-04 | — | — | WO | disclosed |
| US-5093371-A | Naphthyl ketone inhibitors of cholesterol esterase and their use as hypolipidemic and hypocaloric agents | UNIVERSITY OF IOWA RESEARCH FOUNDATION (US) | 1992-03-03 | — | — | US | disclosed |