Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AQP1 | P29972 | 2/20 | 0.45 |
| ▸ | NPC1 | O15118 | 1/20 | 0.36 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.36 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.36 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.36 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.36 |
| ▸ | RAB9A | P51151 | 1/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.36 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.36 |
| ▸ | SIRT2 | Q8IXJ6 | 1/20 | 0.34 |
| ▸ | HTR2A | P28223 | 1/20 | 0.34 |
| ▸ | HTR2C | P28335 | 1/20 | 0.34 |
| ▸ | SLC6A2 | P23975 | 2/20 | 0.33 |
| ▸ | SLC6A4 | P31645 | 2/20 | 0.33 |
| ▸ | DPP4 | P27487 | 1/20 | 0.33 |
| ▸ | KIF11 | P52732 | 1/20 | 0.32 |
| ▸ | GRM5 | P41594 | 1/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.32 |
| ▸ | GAA | P10253 | 1/20 | 0.32 |
| ▸ | HPGD | P15428 | 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 | |
|---|---|---|---|---|
| SCHEMBL4596103 | 0.90 | AQP1 (0.43) | AQP1NPC1CYP1A2CYP2D6CYP2C9 | |
| SCHEMBL4596775 | 0.89 | AQP1 (0.40) | AQP1NPC1CYP1A2CYP2D6CYP2C9 | |
| SCHEMBL4596492 | 0.82 | AQP1 (0.36) | AQP1SIRT2HTR2AHTR2C | |
| SCHEMBL4596725 | 0.82 | CHRM1 (0.33) | AQP1NPC1CYP1A2CYP2C19RAB9A | |
| SCHEMBL4595082 | 0.81 | AQP1 (0.33) | AQP1SIRT2SLC6A2SLC6A4DPP4 | |
| SCHEMBL4595429 | 0.81 | AQP1 (0.33) | AQP1SIRT2HTR2AHTR2C | |
| SCHEMBL4596987 | 0.78 | SIRT2 (0.55) | AQP1NPC1CYP1A2CYP2D6CYP2C9 | |
| SCHEMBL4596399 | 0.77 | HTR1A (0.34) | AQP1L3MBTL1HTR2AHTR2CALDH1A1 | |
| SCHEMBL4595481 | 0.76 | AQP1 (0.43) | AQP1L3MBTL1 | |
| SCHEMBL4596675 | 0.76 | AQP1 (0.37) | AQP1L3MBTL1SIRT2 |
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-1874750-A1 | DIHYDROBENZOFURANYL ALKANAMINE DERIVATIVES AS 5HT2C AGONISTS | Wyeth Incoporated (US) | 2008-01-09 | — | — | EP | disclosed |