Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.46 |
| ▸ | ROCK2 | O75116 | 9/20 | 0.42 |
| ▸ | ROCK1 | Q13464 | 4/20 | 0.42 |
| ▸ | HTR1A | P08908 | 1/20 | 0.40 |
| ▸ | HTR1D | P28221 | 1/20 | 0.40 |
| ▸ | HTR1B | P28222 | 1/20 | 0.40 |
| ▸ | MPO | P05164 | 1/20 | 0.38 |
| ▸ | AKT1 | P31749 | 1/20 | 0.37 |
| ▸ | AKT2 | P31751 | 1/20 | 0.37 |
| ▸ | IDO1 | P14902 | 1/20 | 0.37 |
| ▸ | BCL2L1 | Q07817 | 1/20 | 0.36 |
| ▸ | ADRA1D | P25100 | 1/20 | 0.36 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.36 |
| ▸ | ADRA1B | P35368 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL8688775 | 0.77 | SIGMAR1 (0.46) | SIGMAR1HTR1AHTR1DHTR1BMPO | |
| SCHEMBL7256906 | 0.76 | TRPA1 (0.55) | ROCK2ROCK1AKT1AKT2BCL2L1 | |
| SCHEMBL8692355 | 0.74 | SIGMAR1 (0.46) | SIGMAR1HTR1AHTR1DHTR1BMPO | |
| SCHEMBL30332929 | 0.70 | DPP4 (0.55) | ROCK2ROCK1AKT1AKT2BCL2L1 | |
| SCHEMBL3008829 | 0.68 | SIGMAR1 (0.59) | SIGMAR1 | |
| SCHEMBL3994288 | 0.68 | CHRM2 (0.67) | — | |
| SCHEMBL30692269 | 0.67 | MPO (0.59) | SIGMAR1HTR1AMPO | |
| SCHEMBL18761052 | 0.67 | SIGMAR1 (0.49) | SIGMAR1HTR1AHTR1DHTR1B | |
| SCHEMBL21243264 | 0.67 | SIGMAR1 (0.55) | SIGMAR1MPO | |
| SCHEMBL1325639 | 0.66 | HTR2A (0.73) | HTR1AHTR1DHTR1BMPO |
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 |