Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2C19 | P33261 | 3/20 | 0.43 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.40 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.40 |
| ▸ | PKM | P14618 | 1/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.40 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.40 |
| ▸ | EPHX1 | P07099 | 1/20 | 0.40 |
| ▸ | SLC6A3 | Q01959 | 3/20 | 0.39 |
| ▸ | DRD3 | P35462 | 2/20 | 0.39 |
| ▸ | LMNA | P02545 | 1/20 | 0.39 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.39 |
| ▸ | EDNRB | P24530 | 1/20 | 0.39 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.39 |
| ▸ | MC4R | P32245 | 1/20 | 0.39 |
| ▸ | MC3R | P41968 | 1/20 | 0.39 |
| ▸ | DRD2 | P14416 | 1/20 | 0.39 |
| ▸ | GRM2 | Q14416 | 2/20 | 0.38 |
| ▸ | GRM3 | Q14832 | 2/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.38 |
| ▸ | GABBR2 | O75899 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL6402185 | 0.81 | SLC6A3 (0.52) | CYP2C19CYP1A2CYP2D6PKMSMN1; SMN2 | |
| SCHEMBL6404252 | 0.78 | CYP2D6 (0.46) | CYP2C19CYP1A2CYP2D6PKMSMN1; SMN2 | |
| Acetamide SCHEMBL27959240 | 0.76 | CYP2C19 (0.47) | CYP2C19CYP1A2CYP2D6PKMSMN1; SMN2 | |
| SCHEMBL22042229 | 0.74 | TSHR (0.55) | — | |
| Phthalic Acid SCHEMBL28972902 | 0.73 | ALDH1A1 (0.48) | CYP2C19CYP1A2CYP2D6PKMSMN1; SMN2 | |
| SCHEMBL7360868 | 0.72 | GRIK1 (0.56) | SMN1; SMN2SLC6A3LMNAMAPK1ALDH1A1 | |
| SCHEMBL637452 | 0.71 | CYP2C19 (0.53) | CYP2C19CYP1A2CYP2D6PKMSMN1; SMN2 | |
| SCHEMBL1231305 | 0.71 | CYP2C19 (0.53) | CYP2C19CYP1A2CYP2D6PKMSMN1; SMN2 | |
| SCHEMBL637029 | 0.71 | CYP2C19 (0.53) | CYP2C19CYP1A2CYP2D6PKMSMN1; SMN2 | |
| SCHEMBL7428193 | 0.71 | PARP10 (0.50) | PKMSMN1; SMN2LMNAALDH1A1 |
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 |
|---|---|---|---|---|---|---|---|
| EP-1098662-A2 | COADMINISTRATION OF ACAT AND MMP INHIBITORS FOR THE TREATMENT OF ATHEROSCLEROTIC LESIONS | WARNER-LAMBERT COMPANY (US) | 2001-05-16 | — | — | EP | disclosed |
| WO-2000004892-A2 | COADMINISTRATION OF ACAT AND MMP INHIBITORS FOR THE TREATMENT OF ATHEROSCLEROTIC LESIONS | WARNER-LAMBERT COMPANY (US) | 2000-02-03 | — | — | WO | disclosed |