Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GAA | P10253 | 2/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.40 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.40 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.40 |
| ▸ | ADRA2A | P08913 | 2/20 | 0.40 |
| ▸ | ABCB11 | O95342 | 1/20 | 0.40 |
| ▸ | LMNA | P02545 | 1/20 | 0.40 |
| ▸ | ESR1 | P03372 | 1/20 | 0.40 |
| ▸ | TSHR | P16473 | 1/20 | 0.40 |
| ▸ | PDE4A | P27815 | 1/20 | 0.40 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.40 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.40 |
| ▸ | STAT6 | P42226 | 1/20 | 0.40 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.40 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.40 |
| ▸ | GPR55 | Q9Y2T6 | 1/20 | 0.40 |
| ▸ | MAOA | P21397 | 3/20 | 0.40 |
| ▸ | MAOB | P27338 | 3/20 | 0.40 |
| ▸ | NISCH | Q9Y2I1 | 3/20 | 0.40 |
| ▸ | PTGIR | P43119 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL4787772 | 0.96 | POLB (0.41) | GAAKDM4ECYP3A4CYP2C9ADRA2A | |
| SCHEMBL4748639 | 0.90 | BCHE (0.46) | MAOAMAOBNISCH | |
| SCHEMBL4749208 | 0.86 | FFAR1 (0.38) | SLC6A3MAOBPTGIR | |
| Acetic Acid SCHEMBL4787678 | 0.86 | MAOA (0.42) | KDM4ECYP3A4CYP2C9ESR1MAOA | |
| SCHEMBL949042 | 0.83 | KDM4E (0.52) | KDM4ECYP3A4CYP2C9ADRA2ALMNA | |
| SCHEMBL4788602 | 0.82 | NISCH (0.44) | KDM4ECYP3A4CYP2C9ADRA2ALMNA | |
| Acetic Acid SCHEMBL4915061 | 0.82 | ITGB3 (0.39) | KDM4EADRA2AMAOAMAOBNISCH | |
| SCHEMBL4915068 | 0.81 | ITGB3 (0.37) | ADRA2AMAOAMAOBNISCHPTGIR | |
| Iodide SCHEMBL951481 | 0.81 | KDM4E (0.51) | KDM4ECYP3A4CYP2C9ADRA2ALMNA | |
| Acetic Acid SCHEMBL4787766 | 0.81 | OPRM1 (0.41) | KDM4ECYP3A4CYP2C9OPRK1MAOA |
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 |
|---|---|---|---|---|---|---|---|
| WO-2008123821-A1 | 4, 5-DIHYDRO-LH-IMIDAZOL-2-AMINE DERIVATIVES FOR USE IN THE TREATMENT OF RESPIRATORY, CARDIOVASCULAR, NEUROLOGICAL OR GASTROINTESTINAL DISORDERS | ALBIREO AB (SE) | 2008-10-16 | — | — | WO | disclosed |
| WO-2008108602-A1 | NOVEL PHENYLPROPIONIC ACID DERIVATIVES AS PEROXISOME PROLIFERATOR-ACTIVATED GAMMA RECEPTOR MODULATORS, METHOD OF THE SAME, AND PHARMACEUTICAL COMPOSITION COMPRISING THE SAME | DONG-A PHARM. CO., LTD. (KR) | 2008-09-12 | — | — | WO | disclosed |