Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AQP1 | P29972 | 3/20 | 0.58 |
| ▸ | EZH2 | Q15910 | 1/20 | 0.46 |
| ▸ | NFKB1 | P19838 | 2/20 | 0.43 |
| ▸ | NFKB2 | Q00653 | 2/20 | 0.43 |
| ▸ | RELA | Q04206 | 2/20 | 0.43 |
| ▸ | NPC1 | O15118 | 4/20 | 0.34 |
| ▸ | RAB9A | P51151 | 4/20 | 0.34 |
| ▸ | SMN1; SMN2 | Q16637 | 4/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.34 |
| ▸ | HPGD | P15428 | 2/20 | 0.34 |
| ▸ | TP53 | P04637 | 1/20 | 0.34 |
| ▸ | TSHR | P16473 | 1/20 | 0.34 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.34 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.34 |
| ▸ | SIRT2 | Q8IXJ6 | 1/20 | 0.34 |
| ▸ | HTR2A | P28223 | 1/20 | 0.34 |
| ▸ | HTR2C | P28335 | 1/20 | 0.34 |
| ▸ | MAPK14 | Q16539 | 1/20 | 0.34 |
| ▸ | CNR1 | P21554 | 1/20 | 0.33 |
| ▸ | CYP1A2 | P05177 | 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 | |
|---|---|---|---|---|
| SCHEMBL4219176 | 0.83 | AQP1 (0.80) | AQP1EZH2NPC1RAB9ASMN1; SMN2 | |
| SCHEMBL5148358 | 0.82 | NFKB1 (0.43) | AQP1EZH2NFKB1NFKB2RELA | |
| SCHEMBL4230701 | 0.82 | AQP1 (0.58) | AQP1EZH2NPC1RAB9ASMN1; SMN2 | |
| SCHEMBL4596987 | 0.81 | SIRT2 (0.55) | AQP1EZH2NPC1RAB9ASMN1; SMN2 | |
| SCHEMBL4220292 | 0.79 | AQP1 (0.79) | AQP1EZH2SIRT2HTR2AHTR2C | |
| SCHEMBL4219183 | 0.77 | AQP1 (0.65) | AQP1EZH2SIRT2HTR2AHTR2C | |
| SCHEMBL5140813 | 0.77 | AQP1 (0.43) | AQP1EZH2NFKB1NFKB2RELA | |
| SCHEMBL4968974 | 0.76 | AQP1 (0.54) | AQP1EZH2NFKB1NFKB2RELA | |
| SCHEMBL4225947 | 0.75 | AQP1 (0.67) | AQP1EZH2ALDH1A1NPSR1SIRT2 | |
| SCHEMBL6368238 | 0.75 | AQP1 (0.47) | AQP1EZH2NPC1RAB9AALDH1A1 |
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-1871354-A1 | TREATMENT OF PAIN | Wyeth (US) | 2008-01-02 | — | — | EP | disclosed |
| WO-2006116171-A1 | TREATMENT OF PAIN | WYETH (US) | 2006-11-02 | — | — | WO | disclosed |