Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NOS1 | P29475 | 2/20 | 0.36 |
| ▸ | NOS3 | P29474 | 1/20 | 0.36 |
| ▸ | NOS2 | P35228 | 1/20 | 0.36 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.31 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.31 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.31 |
| ▸ | HTT | P42858 | 1/20 | 0.31 |
| ▸ | DGAT1 | O75907 | 1/20 | 0.31 |
| ▸ | SLC7A5 | Q01650 | 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 | |
|---|---|---|---|---|
| SCHEMBL5692825 | 0.85 | DGAT1 (0.32) | NOS1NOS3NOS2DGAT1SLC7A5 | |
| SCHEMBL918772 | 0.85 | NOS1 (0.43) | NOS1NOS3NOS2CYP1A2CYP2C9 | |
| SCHEMBL16618514 | 0.85 | CTSS (0.38) | NOS1NOS3NOS2 | |
| Hydrochloric Acid SCHEMBL7289358 | 0.83 | NOS1 (0.42) | NOS1NOS3NOS2CYP1A2CYP2C9 | |
| SCHEMBL20503360 | 0.81 | DGAT1 (0.32) | NOS1NOS3NOS2DGAT1SLC7A5 | |
| SCHEMBL7410327 | 0.81 | KIF11 (0.34) | — | |
| SCHEMBL6837920 | 0.80 | MEN1 (0.34) | NOS1NOS3NOS2CYP1A2CYP2C9 | |
| SCHEMBL4540621 | 0.80 | DGAT1 (0.31) | NOS1NOS3NOS2DGAT1SLC7A5 | |
| SCHEMBL4727127 | 0.80 | PTGS1 (0.39) | NOS1NOS3NOS2DGAT1SLC7A5 | |
| SCHEMBL2366734 | 0.80 | DPP4 (0.33) | NOS1NOS3NOS2DGAT1SLC7A5 |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1140979-A1 | POLYOL COMPOUNDS, THEIR PRODUCTION AND USE | Takeda Chemical Industries, Ltd. (JP) | 2001-10-10 | — | — | EP | disclosed |
| WO-2000040599-A1 | POLYOL COMPOUNDS, THEIR PRODUCTION AND USE | TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) | 2000-07-13 | — | — | WO | disclosed |
| EP-0729472-A4 | PIPERIDINYLCAMPHORSULFONYL OXYTOCIN ANTAGONISTS | MERCK & CO INC (US) | 1997-03-19 | — | — | EP | disclosed |
| EP-0729472-A1 | PIPERIDINYLCAMPHORSULFONYL OXYTOCIN ANTAGONISTS | MERCK & CO. INC. (US) | 1996-09-04 | — | — | EP | disclosed |
| WO-1995014025-A1 | PIPERIDINYLCAMPHORSULFONYL OXYTOCIN ANTAGONISTS | MERCK & CO., INC. (US) | 1995-05-26 | — | — | WO | disclosed |