Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2D6 | P10635 | 4/20 | 0.44 |
| ▸ | LTA4H | P09960 | 1/20 | 0.40 |
| ▸ | MC4R | P32245 | 1/20 | 0.40 |
| ▸ | CHRM2 | P08172 | 6/20 | 0.38 |
| ▸ | CHRM1 | P11229 | 6/20 | 0.38 |
| ▸ | CYP26A1 | O43174 | 1/20 | 0.36 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.35 |
| ▸ | OPRD1 | P41143 | 1/20 | 0.35 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.35 |
| ▸ | OPRL1 | P41146 | 1/20 | 0.35 |
| ▸ | CYP3A4 | P08684 | 4/20 | 0.33 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.33 |
| ▸ | CYP2C9 | P11712 | 3/20 | 0.33 |
| ▸ | KCNA5 | P22460 | 3/20 | 0.33 |
| ▸ | CYP2C19 | P33261 | 3/20 | 0.33 |
| ▸ | KCNH2 | Q12809 | 3/20 | 0.33 |
| ▸ | MBTD1 | Q05BQ5 | 1/20 | 0.33 |
| ▸ | L3MBTL3 | Q96JM7 | 1/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.33 |
| ▸ | LMNA | P02545 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL8725283 | 0.81 | CYP2D6 (0.42) | CYP2D6LTA4HMC4RCHRM2CHRM1 | |
| SCHEMBL8722503 | 0.79 | NFKB1 (0.42) | CYP3A4ALDH1A1LMNATHRBALOX15 | |
| SCHEMBL7795568 | 0.72 | KCNA5 (0.37) | CYP2D6CYP3A4CYP1A2CYP2C9KCNA5 | |
| SCHEMBL3030261 | 0.71 | CYP2D6 (0.52) | CYP2D6LTA4HMC4RCHRM2CHRM1 | |
| SCHEMBL8983627 | 0.71 | CYP2D6 (0.83) | CYP2D6LTA4HMC4RCHRM2CHRM1 | |
| SCHEMBL8983562 | 0.71 | CYP2D6 (0.83) | CYP2D6LTA4HMC4RCHRM2CHRM1 | |
| SCHEMBL7097730 | 0.71 | CYP2D6 (0.83) | CYP2D6LTA4HMC4RCHRM2CHRM1 | |
| SCHEMBL2587778 | 0.71 | CYP2D6 (0.42) | CYP2D6LTA4HMC4RCHRM2CHRM1 | |
| SCHEMBL6233324 | 0.70 | CYP2D6 (0.50) | CYP2D6LTA4HMC4RCHRM2CHRM1 | |
| SCHEMBL6418064 | 0.70 | HPGD (0.54) | ALDH1A1LMNAALOX15TSHRALOX12 |
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-0832091-A1 | C-4' MODIFIED ADENOSINE KINASE INHIBITORS | GENSIA, INC. (US) | 1998-04-01 | — | — | EP | disclosed |
| WO-1996040705-A1 | C-4' MODIFIED ADENOSINE KINASE INHIBITORS | GENSIA SICOR (US) | 1996-12-19 | — | — | WO | disclosed |