Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | RAB9A | P51151 | 3/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.37 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.37 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.37 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.37 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.35 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.34 |
| ▸ | KDM4C | Q9H3R0 | 1/20 | 0.34 |
| ▸ | AGBL2 | Q5U5Z8 | 1/20 | 0.34 |
| ▸ | GLO1 | Q04760 | 1/20 | 0.34 |
| ▸ | MEN1 | O00255 | 3/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.33 |
| ▸ | NPC1 | O15118 | 2/20 | 0.33 |
| ▸ | AOC3 | Q16853 | 1/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.33 |
| ▸ | POLB | P06746 | 1/20 | 0.33 |
| ▸ | GAA | P10253 | 1/20 | 0.33 |
| ▸ | MC4R | P32245 | 1/20 | 0.33 |
| ▸ | PPARG | P37231 | 1/20 | 0.33 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL16396205 | 0.81 | CFD (0.46) | ALDH1A1 | |
| SCHEMBL6542530 | 0.79 | CYP3A4 (0.39) | ALDH1A1CYP1A2CYP3A4CYP2C19MAPK1 | |
| SCHEMBL14027056 | 0.79 | POLB (0.35) | ALDH1A1CYP3A4HSP90AA1MEN1KMT2A | |
| SCHEMBL4064131 | 0.77 | AHR (0.34) | ALDH1A1CYP3A4AOC3POLB | |
| SCHEMBL31480938 | 0.76 | AKR1C3 (0.43) | RAB9AALDH1A1CYP1A2MAPK1KDM4C | |
| SCHEMBL4492453 | 0.76 | AKR1C3 (0.43) | RAB9AALDH1A1CYP1A2MAPK1KDM4C | |
| SCHEMBL10534396 | 0.74 | ALDH1A1 (0.50) | RAB9AALDH1A1CYP1A2CYP3A4CYP2C19 | |
| SCHEMBL29061284 | 0.74 | CYP3A4 (0.44) | RAB9AALDH1A1CYP1A2CYP3A4CYP2C19 | |
| SCHEMBL3402977 | 0.72 | KDM4C (0.50) | ALDH1A1MAPK1KDM4CAGBL2KDM4E | |
| SCHEMBL4630276 | 0.72 | NPC1 (0.38) | RAB9AALDH1A1CYP1A2CYP3A4CYP2C19 |
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 |
|---|---|---|---|---|---|---|---|
| US-5807860-A | ACYLCOENZYME A:CHOLESTEROL ACYLTRANSFERASE INHIBITORS; HYPERLIPEMIA, ATHEROSCLEROSIS; ANTICHOLESTEROL AGENTS | MITSUBISHI CHEMICAL CORPORATION (JP) | 1998-09-15 | — | — | US | disclosed |
| EP-0773218-A1 | N-(Piperazinylalkoxyphenyl)-N'phenylalkylurea derivatives as ACAT inhibitors for the treatment of atheroschlerosis | MITSUBISHI CHEMICAL CORPORATION (JP) | 1997-05-14 | — | — | EP | disclosed |