Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2D6 | P10635 | 3/20 | 0.47 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.47 |
| ▸ | LIPE | Q05469 | 1/20 | 0.40 |
| ▸ | CHRM2 | P08172 | 3/20 | 0.40 |
| ▸ | ADRA2A | P08913 | 3/20 | 0.40 |
| ▸ | DRD1 | P21728 | 3/20 | 0.40 |
| ▸ | SLC6A2 | P23975 | 3/20 | 0.40 |
| ▸ | SLC6A4 | P31645 | 3/20 | 0.40 |
| ▸ | SLC6A3 | Q01959 | 3/20 | 0.40 |
| ▸ | KCNH2 | Q12809 | 3/20 | 0.40 |
| ▸ | ADRA1A | P35348 | 2/20 | 0.40 |
| ▸ | ADRA2B | P18089 | 2/20 | 0.40 |
| ▸ | HTR2A | P28223 | 2/20 | 0.40 |
| ▸ | HRH1 | P35367 | 2/20 | 0.40 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.40 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.39 |
| ▸ | LMNA | P02545 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL10597175 | 0.82 | CYP2D6 (0.46) | CYP2D6CYP2C19LIPECHRM2ADRA2A | |
| SCHEMBL762423 | 0.80 | ALDH1A1 (0.50) | CYP2D6CYP2C19LIPECHRM2ADRA2A | |
| SCHEMBL11338231 | 0.76 | CYP2D6 (0.47) | CYP2D6CYP2C19LIPECHRM2ADRA2A | |
| SCHEMBL243741 | 0.76 | POLB (0.51) | CYP2D6CYP2C19LIPECHRM2ADRA2A | |
| SCHEMBL21588967 | 0.76 | CYP2D6 (0.40) | CYP2D6CYP2C19CHRM2ADRA2ADRD1 | |
| SCHEMBL424554 | 0.74 | CYP2D6 (0.46) | CYP2D6CYP2C19LIPECHRM2ADRA2A | |
| SCHEMBL6988798 | 0.74 | CYP2D6 (0.46) | CYP2D6CYP2C19LIPECHRM2ADRA2A | |
| Hydrochloric Acid SCHEMBL11804810 | 0.74 | POLB (0.50) | CYP2D6CYP2C19LIPECHRM2ADRA2A | |
| SCHEMBL761923 | 0.74 | CYP2D6 (0.46) | CYP2D6CYP2C19LIPECHRM2ADRA2A | |
| SCHEMBL6644466 | 0.74 | CYP2D6 (0.46) | CYP2D6CYP2C19LIPECHRM2ADRA2A |
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-7312235-B2 | Benzamide inhibitors of factor Xa | MILLENNIUM PHARMACEUTICALS, INC. (US) | 2007-12-25 | — | — | US | disclosed |
| US-7312235-B2 | Benzamide inhibitors of factor Xa | MILLENNIUM PHARMACEUTICALS, INC. (US) | 2007-12-25 | — | — | US | disclosed |