Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.56 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.50 |
| ▸ | OPRM1 | P35372 | 3/20 | 0.49 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.49 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.49 |
| ▸ | CHRM4 | P08173 | 1/20 | 0.49 |
| ▸ | CHRM5 | P08912 | 1/20 | 0.49 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.49 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.49 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.49 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.49 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.49 |
| ▸ | DRD1 | P21728 | 1/20 | 0.49 |
| ▸ | ADRA1D | P25100 | 1/20 | 0.49 |
| ▸ | HTR2A | P28223 | 1/20 | 0.49 |
| ▸ | HTR2C | P28335 | 1/20 | 0.49 |
| ▸ | HRH1 | P35367 | 1/20 | 0.49 |
| ▸ | DRD3 | P35462 | 1/20 | 0.49 |
| ▸ | HTR2B | P41595 | 1/20 | 0.49 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.49 |
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 | |
|---|---|---|---|---|
| SCHEMBL2793637 | 0.89 | ALDH1A1 (0.67) | ALDH1A1HSP90AA1OPRM1KMT2ACHRM2 | |
| SCHEMBL7444399 | 0.84 | CYP2D6 (0.53) | ALDH1A1OPRM1KMT2ACHRM2CHRM4 | |
| SCHEMBL7448448 | 0.84 | L3MBTL3 (0.54) | ALDH1A1OPRM1KMT2ACHRM2CHRM4 | |
| SCHEMBL7442471 | 0.82 | CYP2D6 (0.55) | ALDH1A1OPRM1KMT2ACHRM2CHRM4 | |
| SCHEMBL7447755 | 0.79 | MEN1 (0.79) | OPRM1KMT2ACHRM2CHRM4CHRM5 | |
| SCHEMBL10661275 | 0.79 | CHRM2 (0.53) | ALDH1A1OPRM1KMT2ACHRM2CHRM4 | |
| SCHEMBL27523399 | 0.79 | ACHE (0.67) | ALDH1A1HSP90AA1OPRM1KMT2ACHRM2 | |
| SCHEMBL6288074 | 0.77 | POLB (0.50) | ALDH1A1HSP90AA1KMT2AMEN1ACHE | |
| SCHEMBL14938679 | 0.75 | CYP2D6 (0.47) | ALDH1A1OPRM1CYP2D6KCNA5GRM5 | |
| SCHEMBL27569069 | 0.75 | ALDH1A1 (0.39) | ALDH1A1KDM4EKCNA5GRM5ACHE |
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-0993448-A1 | (AMIDINO)6-MEMBERED AROMATICS AS FACTOR Xa INHIBITORS | THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) | 2000-04-19 | — | — | EP | disclosed |
| WO-1998057934-A1 | (AMIDINO)6-MEMBERED AROMATICS AS FACTOR Xa INHIBITORS | THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) | 1998-12-23 | — | — | WO | disclosed |