Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.40 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.40 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.40 |
| ▸ | LTB4R | Q15722 | 1/20 | 0.37 |
| ▸ | LTB4R2 | Q9NPC1 | 1/20 | 0.37 |
| ▸ | HRH3 | Q9Y5N1 | 3/20 | 0.33 |
| ▸ | HRH4 | Q9H3N8 | 2/20 | 0.33 |
| ▸ | METAP2 | P50579 | 1/20 | 0.32 |
| ▸ | IDO1 | P14902 | 8/20 | 0.32 |
| ▸ | ECE1 | P42892 | 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 | |
|---|---|---|---|---|
| SCHEMBL8687574 | 0.89 | CYP1A2 (0.40) | CYP1A2CYP3A4CYP2D6LTB4RLTB4R2 | |
| SCHEMBL8687758 | 0.81 | IDO1 (0.39) | CYP1A2CYP3A4CYP2D6IDO1 | |
| SCHEMBL8689846 | 0.77 | CYP1A2 (0.36) | CYP1A2CYP3A4CYP2D6LTB4RLTB4R2 | |
| SCHEMBL8781118 | 0.75 | MAPK14 (0.39) | CYP1A2CYP3A4CYP2D6HRH3HRH4 | |
| SCHEMBL8692394 | 0.71 | KDM4E (0.32) | — | |
| SCHEMBL8687020 | 0.71 | KDM4E (0.33) | — | |
| SCHEMBL27794554 | 0.70 | ECE1 (0.50) | IDO1ECE1 | |
| SCHEMBL8689685 | 0.70 | CYP1A2 (0.37) | CYP1A2CYP3A4CYP2D6LTB4RLTB4R2 | |
| SCHEMBL8687570 | 0.70 | IDO1 (0.45) | IDO1 | |
| SCHEMBL8687672 | 0.70 | IDO1 (0.48) | IDO1 |
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 |