Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AQP1 | P29972 | 3/20 | 0.42 |
| ▸ | NFKB1 | P19838 | 2/20 | 0.38 |
| ▸ | NFKB2 | Q00653 | 2/20 | 0.38 |
| ▸ | RELA | Q04206 | 2/20 | 0.38 |
| ▸ | MEN1 | O00255 | 2/20 | 0.36 |
| ▸ | MAPT | P10636 | 2/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.36 |
| ▸ | FABP4 | P15090 | 2/20 | 0.35 |
| ▸ | FABP5 | Q01469 | 2/20 | 0.35 |
| ▸ | EZH2 | Q15910 | 1/20 | 0.35 |
| ▸ | PRKAB2 | O43741 | 2/20 | 0.35 |
| ▸ | PRKAG1 | P54619 | 2/20 | 0.35 |
| ▸ | PRKAA2 | P54646 | 2/20 | 0.35 |
| ▸ | PRKAA1 | Q13131 | 2/20 | 0.35 |
| ▸ | PRKAG3 | Q9UGI9 | 2/20 | 0.35 |
| ▸ | PRKAG2 | Q9UGJ0 | 2/20 | 0.35 |
| ▸ | PRKAB1 | Q9Y478 | 2/20 | 0.35 |
| ▸ | ACP1 | P24666 | 1/20 | 0.35 |
| ▸ | FABP3 | P05413 | 1/20 | 0.35 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL4220623 | 0.87 | AQP1 (0.54) | AQP1MEN1MAPTKMT2AEZH2 | |
| SCHEMBL5140813 | 0.84 | AQP1 (0.43) | AQP1NFKB1NFKB2RELAMEN1 | |
| SCHEMBL4225394 | 0.83 | AQP1 (0.51) | AQP1PRKAB2PRKAG1PRKAA2PRKAA1 | |
| SCHEMBL4220627 | 0.82 | AQP1 (0.43) | AQP1PRKAB2PRKAG1PRKAA2PRKAA1 | |
| SCHEMBL4834018 | 0.79 | NFKB1 (0.42) | AQP1NFKB1NFKB2RELAMEN1 | |
| SCHEMBL5058630 | 0.78 | GRM2 (0.38) | MAPTPTGS2 | |
| SCHEMBL4968974 | 0.78 | AQP1 (0.54) | AQP1NFKB1NFKB2RELAMEN1 | |
| SCHEMBL5058627 | 0.78 | PTGS2 (0.36) | AQP1MAPTPTGS2 | |
| SCHEMBL4867031 | 0.75 | AQP1 (0.60) | AQP1EZH2PRKAB2PRKAG1PRKAA2 | |
| SCHEMBL4222333 | 0.75 | PTGS2 (0.38) | AQP1PTGS2 |
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-1898895-A2 | TREATMENT OF DRUG ABUSE | Wyeth (US) | 2008-03-19 | — | — | EP | claimed |
| WO-2006116148-A2 | (7-ARLYSUBSTITUTED 2, 3-DIHYDR0-1-BENZ0FURAN-2-YL) ALKYLAMINES IN THE TREATMENT' OF SUBSTANCE ABUSE | WYETH (US) | 2006-11-02 | — | — | WO | claimed |