Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2D6 | P10635 | 3/20 | 0.50 |
| ▸ | MC4R | P32245 | 1/20 | 0.44 |
| ▸ | LTA4H | P09960 | 1/20 | 0.43 |
| ▸ | CHRM2 | P08172 | 9/20 | 0.41 |
| ▸ | CHRM1 | P11229 | 9/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.39 |
| ▸ | CYP2C9 | P11712 | 3/20 | 0.39 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.39 |
| ▸ | KCNA5 | P22460 | 2/20 | 0.39 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.39 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.39 |
| ▸ | KCNE1 | P15382 | 1/20 | 0.39 |
| ▸ | ACHE | P22303 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL6872559 | 0.98 | CYP2D6 (0.52) | CYP2D6MC4RLTA4HCHRM2CHRM1 | |
| SCHEMBL16982012 | 0.81 | CYP2D6 (0.56) | CYP2D6MC4RLTA4HCHRM2CHRM1 | |
| SCHEMBL1928612 | 0.80 | CYP2D6 (0.50) | CYP2D6MC4RLTA4HCHRM2CHRM1 | |
| SCHEMBL22206767 | 0.80 | CHRM2 (0.57) | CYP2D6MC4RLTA4HCHRM2CHRM1 | |
| SCHEMBL16935280 | 0.80 | CYP2D6 (0.50) | CYP2D6MC4RLTA4HCHRM2CHRM1 | |
| SCHEMBL11157003 | 0.80 | ALDH1A1 (0.56) | CYP2D6MC4RLTA4HCHRM2CHRM1 | |
| SCHEMBL6882632 | 0.80 | CYP2D6 (0.50) | CYP2D6MC4RLTA4HCHRM2CHRM1 | |
| SCHEMBL22206739 | 0.80 | CHRM2 (0.57) | CYP2D6MC4RLTA4HCHRM2CHRM1 | |
| SCHEMBL16935182 | 0.80 | CYP2D6 (0.50) | CYP2D6MC4RLTA4HCHRM2CHRM1 | |
| Hydrochloric Acid SCHEMBL1935939 | 0.80 | CYP2D6 (0.50) | CYP2D6MC4RLTA4HCHRM2CHRM1 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0832091-B1 | C-4' MODIFIED ADENOSINE KINASE INHIBITORS | GENSIA SICOR INC (US) | 2004-01-14 | — | — | EP | disclosed |