Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2C19 | P33261 | 1/20 | 0.42 |
| ▸ | TRPM5 | Q9NZQ8 | 1/20 | 0.39 |
| ▸ | FDPS | P14324 | 1/20 | 0.39 |
| ▸ | KDM1A | O60341 | 2/20 | 0.38 |
| ▸ | MAOB | P27338 | 1/20 | 0.38 |
| ▸ | ADH1B | P00325 | 1/20 | 0.34 |
| ▸ | ADH1C | P00326 | 1/20 | 0.34 |
| ▸ | ADH1A | P07327 | 1/20 | 0.34 |
| ▸ | ADH7 | P40394 | 1/20 | 0.34 |
| ▸ | SLC6A3 | Q01959 | 3/20 | 0.34 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.34 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.34 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.34 |
| ▸ | DRD4 | P21917 | 1/20 | 0.34 |
| ▸ | PSMD14 | O00487 | 1/20 | 0.33 |
| ▸ | STAMBP | O95630 | 1/20 | 0.33 |
| ▸ | COPS5 | Q92905 | 1/20 | 0.33 |
| ▸ | NTRK1 | P04629 | 1/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.32 |
| ▸ | PKM | P14618 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL1258299 | 0.96 | — | — | |
| SCHEMBL1998111 | 0.78 | DRD4 (0.41) | CYP2C19TRPM5FDPSKDM1AMAOB | |
| SCHEMBL2311217 | 0.78 | CYP2C19 (0.46) | CYP2C19TRPM5FDPSKDM1AMAOB | |
| SCHEMBL14216629 | 0.76 | CYP2C19 (0.43) | CYP2C19TRPM5FDPSKDM1AMAOB | |
| SCHEMBL2000599 | 0.75 | DRD4 (0.38) | CYP2C19TRPM5FDPSADH1BADH1C | |
| SCHEMBL22593333 | 0.71 | — | — | |
| SCHEMBL4574553 | 0.71 | — | — | |
| SCHEMBL1628173 | 0.71 | — | — | |
| SCHEMBL18884390 | 0.70 | — | — | |
| SCHEMBL13548386 | 0.70 | CYP2C19 (0.44) | CYP2C19TRPM5FDPSKDM1AMAOB |
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-1981854-B1 | ARYLPROPIONAMIDE, ARYLACRYLAMIDE, ARYLPROPYNAMIDE, OR ARYLMETHYLUREA ANALOGS AS FACTOR XIA INHIBITORS | BRISTOL MYERS SQUIBB CO (US) | 2011-06-01 | — | — | EP | claimed |