Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2D6 | P10635 | 1/20 | 0.42 |
| ▸ | LTA4H | P09960 | 1/20 | 0.38 |
| ▸ | MC4R | P32245 | 1/20 | 0.38 |
| ▸ | CYP26A1 | O43174 | 1/20 | 0.37 |
| ▸ | CHRM2 | P08172 | 7/20 | 0.36 |
| ▸ | CHRM1 | P11229 | 7/20 | 0.36 |
| ▸ | NPC1 | O15118 | 1/20 | 0.36 |
| ▸ | RAB9A | P51151 | 1/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.34 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.34 |
| ▸ | JAK2 | O60674 | 1/20 | 0.34 |
| ▸ | JAK1 | P23458 | 1/20 | 0.34 |
| ▸ | MBTD1 | Q05BQ5 | 1/20 | 0.34 |
| ▸ | L3MBTL3 | Q96JM7 | 1/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.33 |
| ▸ | LMNA | P02545 | 1/20 | 0.33 |
| ▸ | THRB | P10828 | 1/20 | 0.33 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.33 |
| ▸ | TSHR | P16473 | 1/20 | 0.33 |
| ▸ | ALOX12 | P18054 | 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 | |
|---|---|---|---|---|
| SCHEMBL3030261 | 0.84 | CYP2D6 (0.52) | CYP2D6LTA4HMC4RCHRM2CHRM1 | |
| SCHEMBL6233324 | 0.83 | CYP2D6 (0.50) | CYP2D6LTA4HMC4RCHRM2CHRM1 | |
| SCHEMBL8725280 | 0.81 | CYP2D6 (0.44) | CYP2D6LTA4HMC4RCYP26A1CHRM2 | |
| SCHEMBL16982012 | 0.73 | CYP2D6 (0.56) | CYP2D6LTA4HMC4RCHRM2CHRM1 | |
| SCHEMBL16270668 | 0.71 | CHRM2 (0.54) | CYP2D6LTA4HMC4RCHRM2CHRM1 | |
| SCHEMBL2735673 | 0.71 | CHRM2 (0.54) | CYP2D6LTA4HMC4RCHRM2CHRM1 | |
| SCHEMBL12781671 | 0.70 | CHRM2 (0.57) | CYP2D6LTA4HMC4RCHRM2CHRM1 | |
| SCHEMBL2236588 | 0.70 | NCF1 (0.54) | CYP2D6LTA4HMC4RCHRM2CHRM1 | |
| SCHEMBL3041069 | 0.70 | CYP2D6 (0.52) | CYP2D6LTA4HMC4RCHRM2CHRM1 | |
| SCHEMBL6872559 | 0.70 | CYP2D6 (0.52) | CYP2D6LTA4HMC4RCHRM2CHRM1 |
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 |