Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTR2A | P28223 | 2/20 | 0.37 |
| ▸ | HTR2C | P28335 | 2/20 | 0.37 |
| ▸ | HTR2B | P41595 | 2/20 | 0.37 |
| ▸ | GCGR | P47871 | 11/20 | 0.33 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.32 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.32 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.31 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.31 |
| ▸ | SCN9A | Q15858 | 1/20 | 0.31 |
| ▸ | MAPK14 | Q16539 | 2/20 | 0.30 |
| ▸ | MAPK13 | O15264 | 1/20 | 0.30 |
| ▸ | MAPK12 | P53778 | 1/20 | 0.30 |
| ▸ | MAPK11 | Q15759 | 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 | |
|---|---|---|---|---|
| SCHEMBL8846284 | 0.79 | MAPT (0.43) | CYP1A2CYP2C19 | |
| SCHEMBL6013166 | 0.69 | SCN9A (0.39) | HTR2AHTR2CHTR2BGCGRSCN9A | |
| SCHEMBL8201704 | 0.68 | ADORA2A (0.43) | GCGRSCN9AMAPK14 | |
| SCHEMBL12202948 | 0.67 | ADORA3 (0.41) | HTR2BGCGR | |
| SCHEMBL12228276 | 0.67 | KDM4E (0.45) | HTR2BSCN9A | |
| SCHEMBL3840856 | 0.66 | AURKA (0.56) | HTR2BPTGS2CYP1A2MAPK14 | |
| SCHEMBL28094104 | 0.66 | NOS3 (0.44) | HTR2BCYP1A2CYP2C19SCN9A | |
| SCHEMBL2337367 | 0.66 | ADORA3 (0.43) | GCGRSCN9A | |
| SCHEMBL9302391 | 0.65 | APP (0.42) | — | |
| SCHEMBL9302519 | 0.65 | ADORA2A (0.43) | SCN9AMAPK14 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0705837-B1 | Preparation of 3-Oxy-5-oxo-6-heptenoic acid derivatives | UBE INDUSTRIES (JP) | 2002-08-07 | — | — | EP | disclosed |
| US-5744604-A | Preparation of 3-oxy-5-oxo-6-heptenoic acid derivatives | UBE INDUSTRIES, LTD. (JP) | 1998-04-28 | — | — | US | disclosed |
| US-5677455-A | Preparation of 3-oxy-5-oxo-6-heptenoic acid derivatives | UBE INDUSTRIES, LTD. (JP) | 1997-10-14 | — | — | US | disclosed |
| EP-0705837-A2 | Preparation of 3-Oxy-5-oxo-6-heptenoic acid derivatives | UBE INDUSTRIES, LTD. (JP) | 1996-04-10 | — | — | EP | disclosed |