Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.37 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.37 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.37 |
| ▸ | LTB4R | Q15722 | 1/20 | 0.36 |
| ▸ | LTB4R2 | Q9NPC1 | 1/20 | 0.36 |
| ▸ | EGFR | P00533 | 1/20 | 0.35 |
| ▸ | FGFR1 | P11362 | 1/20 | 0.35 |
| ▸ | KDR | P35968 | 1/20 | 0.35 |
| ▸ | IDO1 | P14902 | 9/20 | 0.34 |
| ▸ | ECE1 | P42892 | 1/20 | 0.34 |
| ▸ | METAP2 | P50579 | 1/20 | 0.34 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.33 |
| ▸ | HSP90AB1 | P08238 | 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 | |
|---|---|---|---|---|
| SCHEMBL8687342 | 0.91 | CYP1A2 (0.40) | CYP1A2CYP3A4CYP2D6LTB4RLTB4R2 | |
| SCHEMBL8687758 | 0.89 | IDO1 (0.39) | CYP1A2CYP3A4CYP2D6EGFRFGFR1 | |
| SCHEMBL8687733 | 0.75 | ADRA2A (0.38) | CYP1A2CYP3A4CYP2D6IDO1HSP90AA1 | |
| SCHEMBL27794554 | 0.73 | ECE1 (0.50) | EGFRFGFR1KDRIDO1ECE1 | |
| SCHEMBL8687672 | 0.72 | IDO1 (0.48) | IDO1 | |
| Hydrochloric Acid SCHEMBL28762461 | 0.72 | ECE1 (0.49) | EGFRFGFR1KDRIDO1ECE1 | |
| SCHEMBL8689417 | 0.70 | IDO1 (0.43) | EGFRFGFR1KDRIDO1 | |
| SCHEMBL8781118 | 0.67 | MAPK14 (0.39) | CYP1A2CYP3A4CYP2D6EGFRFGFR1 | |
| SCHEMBL24026598 | 0.66 | IDO1 (0.65) | CYP3A4EGFRFGFR1KDRIDO1 | |
| SCHEMBL4065993 | 0.65 | ADRA2A (0.50) | CYP3A4EGFRFGFR1KDRIDO1 |
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 |