Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2D6 | P10635 | 6/20 | 0.53 |
| ▸ | KCNH2 | Q12809 | 6/20 | 0.53 |
| ▸ | OPRM1 | P35372 | 5/20 | 0.53 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.53 |
| ▸ | CHRM2 | P08172 | 2/20 | 0.53 |
| ▸ | ADRA2A | P08913 | 2/20 | 0.53 |
| ▸ | CHRM1 | P11229 | 2/20 | 0.53 |
| ▸ | DRD1 | P21728 | 2/20 | 0.53 |
| ▸ | DRD3 | P35462 | 2/20 | 0.53 |
| ▸ | SLC6A3 | Q01959 | 2/20 | 0.53 |
| ▸ | MEN1 | O00255 | 2/20 | 0.53 |
| ▸ | CHRM4 | P08173 | 1/20 | 0.53 |
| ▸ | CHRM5 | P08912 | 1/20 | 0.53 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.53 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.53 |
| ▸ | ADRA1D | P25100 | 1/20 | 0.53 |
| ▸ | HTR2A | P28223 | 1/20 | 0.53 |
| ▸ | HTR2C | P28335 | 1/20 | 0.53 |
| ▸ | HRH1 | P35367 | 1/20 | 0.53 |
| ▸ | HTR2B | P41595 | 1/20 | 0.53 |
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 | |
|---|---|---|---|---|
| SCHEMBL7448448 | 0.96 | L3MBTL3 (0.54) | CYP2D6KCNH2OPRM1KMT2ACHRM2 | |
| SCHEMBL7442471 | 0.94 | CYP2D6 (0.55) | CYP2D6KCNH2OPRM1KMT2ACHRM2 | |
| SCHEMBL1502253 | 0.88 | CYP2D6 (0.65) | CYP2D6KCNH2OPRM1KMT2ACHRM2 | |
| SCHEMBL7447755 | 0.84 | MEN1 (0.79) | CYP2D6KCNH2OPRM1KMT2ACHRM2 | |
| SCHEMBL7440573 | 0.84 | ALDH1A1 (0.56) | CYP2D6KCNH2OPRM1KMT2ACHRM2 | |
| SCHEMBL2054235 | 0.83 | CYP2D6 (0.67) | CYP2D6KCNH2OPRM1KMT2ACHRM2 | |
| Hydrochloric Acid SCHEMBL16107427 | 0.81 | CYP2D6 (0.64) | CYP2D6KCNH2OPRM1KMT2ACHRM2 | |
| SCHEMBL5267415 | 0.81 | CYP2D6 (0.68) | CYP2D6KCNH2OPRM1KMT2ACHRM2 | |
| Cyanate SCHEMBL27856140 | 0.81 | OPRD1 (0.54) | CYP2D6KCNH2OPRM1KMT2ACHRM2 | |
| SCHEMBL10661275 | 0.80 | CHRM2 (0.53) | CYP2D6KCNH2OPRM1KMT2ACHRM2 |
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 |