Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.46 |
| ▸ | HTR1A | P08908 | 2/20 | 0.37 |
| ▸ | HTR1D | P28221 | 2/20 | 0.37 |
| ▸ | HTR1B | P28222 | 2/20 | 0.37 |
| ▸ | MPO | P05164 | 1/20 | 0.36 |
| ▸ | HTR2A | P28223 | 2/20 | 0.35 |
| ▸ | HTR7 | P34969 | 1/20 | 0.35 |
| ▸ | HTR2B | P41595 | 1/20 | 0.35 |
| ▸ | HTR5A | P47898 | 1/20 | 0.35 |
| ▸ | CHRM2 | P08172 | 8/20 | 0.34 |
| ▸ | GRIN1 | Q05586 | 4/20 | 0.34 |
| ▸ | GRIN2A | Q12879 | 4/20 | 0.34 |
| ▸ | BCHE | P06276 | 4/20 | 0.34 |
| ▸ | ACHE | P22303 | 4/20 | 0.34 |
| ▸ | TP53 | P04637 | 1/20 | 0.34 |
| ▸ | CHRM4 | P08173 | 1/20 | 0.34 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.34 |
| ▸ | CHRM5 | P08912 | 1/20 | 0.34 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.34 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL28169397 | 0.85 | NR1H2 (0.36) | CYP3A4CYP2D6 | |
| Formaldehyde SCHEMBL28673465 | 0.80 | CHRM2 (0.38) | SIGMAR1CHRM2TP53 | |
| SCHEMBL8692355 | 0.80 | SIGMAR1 (0.46) | SIGMAR1HTR1AHTR1DHTR1BMPO | |
| Formaldehyde SCHEMBL28676768 | 0.77 | KDM4E (0.38) | SIGMAR1HTR1AHTR1DHTR1BHTR2A | |
| SCHEMBL8689398 | 0.77 | SIGMAR1 (0.46) | SIGMAR1HTR1AHTR1DHTR1BMPO | |
| SCHEMBL8688772 | 0.76 | SIGMAR1 (0.51) | SIGMAR1CYP2D6SLC2A1 | |
| SCHEMBL11194759 | 0.76 | TRPA1 (0.38) | CYP2D6 | |
| SCHEMBL11351465 | 0.70 | ALDH1A1 (0.33) | TSHR | |
| SCHEMBL5426875 | 0.68 | SIGMAR1 (0.44) | SIGMAR1HTR1AHTR1DHTR1BMPO | |
| SCHEMBL3008829 | 0.68 | SIGMAR1 (0.59) | SIGMAR1HTR2ACHRM2GRIN1GRIN2A |
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 |