Predicted protein targets (top 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADH1A | P07327 | 4/20 | 0.38 |
| ▸ | ADH1C | P00326 | 3/20 | 0.38 |
| ▸ | ADH1B | P00325 | 1/20 | 0.34 |
| ▸ | SHBG | P04278 | 1/20 | 0.31 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL19879070 | 0.85 | PIK3CD (0.35) | ADH1AADH1CADH1BSHBG | |
| SCHEMBL19879075 | 0.83 | ADH1A (0.37) | ADH1AADH1CADH1BCYP1A2 | |
| SCHEMBL23902180 | 0.82 | ADH1C (0.33) | ADH1AADH1C | |
| SCHEMBL4570869 | 0.79 | ADH1A (0.43) | ADH1AADH1CADH1BSHBG | |
| SCHEMBL13503176 | 0.79 | ADH1A (0.43) | ADH1AADH1CADH1BSHBG | |
| SCHEMBL19333339 | 0.78 | ADH1A (0.37) | ADH1AADH1CADH1BSHBGCYP1A2 | |
| SCHEMBL104547 | 0.76 | ADH1A (0.40) | ADH1AADH1CADH1BSHBG | |
| SCHEMBL6337808 | 0.75 | ADH1A (0.41) | ADH1AADH1CADH1BSHBG | |
| SCHEMBL12890106 | 0.73 | ADH1A (0.37) | ADH1AADH1CADH1B | |
| SCHEMBL17198168 | 0.72 | ADH1A (0.42) | ADH1AADH1CADH1BSHBG |
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 |
|---|---|---|---|---|---|---|---|
| WO-2012085648-A1 | PHOSPHORUS-SUBSTITUTED QUINOXALINE-TYPE PIPERIDINE COMPOUNDS AND USES THEREOF | PURDUE PHARMA L.P. (US) | 2012-06-28 | — | — | WO | disclosed |