Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADRA2A | P08913 | 10/20 | 0.38 |
| ▸ | ADRA2B | P18089 | 3/20 | 0.37 |
| ▸ | ADRA2C | P18825 | 3/20 | 0.37 |
| ▸ | ADRA1A | P35348 | 3/20 | 0.37 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.34 |
| ▸ | HSP90AB1 | P08238 | 1/20 | 0.34 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.33 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.33 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.33 |
| ▸ | IDO1 | P14902 | 6/20 | 0.33 |
| ▸ | PDE3B | Q13370 | 1/20 | 0.31 |
| ▸ | PDE3A | Q14432 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL8687765 | 0.75 | CYP1A2 (0.37) | HSP90AA1HSP90AB1CYP1A2CYP3A4CYP2D6 | |
| SCHEMBL8687758 | 0.69 | IDO1 (0.39) | ADRA2AADRA2BADRA2CADRA1ACYP1A2 | |
| SCHEMBL8687342 | 0.68 | CYP1A2 (0.40) | CYP1A2CYP3A4CYP2D6IDO1 | |
| SCHEMBL26259980 | 0.57 | IDO1 (0.64) | ADRA2AADRA2BCYP3A4CYP2D6IDO1 | |
| SCHEMBL7194641 | 0.54 | IDO1 (0.59) | CYP3A4CYP2D6IDO1 | |
| SCHEMBL10707409 | 0.54 | MEN1 (0.35) | — | |
| SCHEMBL27490016 | 0.54 | IDO1 (0.67) | ADRA2ACYP3A4IDO1 | |
| SCHEMBL16921858 | 0.54 | HCAR3 (0.35) | — | |
| SCHEMBL1950240 | 0.53 | IDO1 (0.64) | HSP90AA1HSP90AB1CYP1A2CYP3A4CYP2D6 | |
| SCHEMBL16997427 | 0.53 | ALDH1A1 (0.56) | — |
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 |