Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 1/20 | 0.65 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.61 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.61 |
| ▸ | GGPS1 | O95749 | 2/20 | 0.61 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.57 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.57 |
| ▸ | PLA2G4B | P0C869 | 1/20 | 0.57 |
| ▸ | DHFR | P00374 | 7/20 | 0.56 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.56 |
| ▸ | POLB | P06746 | 1/20 | 0.55 |
| ▸ | SMPD1 | P17405 | 2/20 | 0.54 |
| ▸ | PPARG | P37231 | 1/20 | 0.54 |
| ▸ | PPARA | Q07869 | 1/20 | 0.54 |
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 | |
|---|---|---|---|---|
| SCHEMBL8349049 | 1.00 | TSHR (0.65) | TSHRKDM4EALDH1A1GGPS1MAPK1 | |
| SCHEMBL5251060 | 0.98 | KDM4E (0.63) | TSHRKDM4EALDH1A1GGPS1MAPK1 | |
| SCHEMBL11050996 | 0.93 | KDM4E (0.60) | TSHRKDM4EALDH1A1GGPS1MAPK1 | |
| SCHEMBL17509789 | 0.88 | PPARA (0.68) | TSHRGGPS1PLA2G4BDHFRPPARG | |
| SCHEMBL17509791 | 0.88 | PPARA (0.68) | TSHRGGPS1PLA2G4BDHFRPPARG | |
| SCHEMBL17509779 | 0.88 | PPARA (0.68) | TSHRGGPS1PLA2G4BDHFRPPARG | |
| SCHEMBL17509797 | 0.88 | PPARA (0.68) | TSHRGGPS1PLA2G4BDHFRPPARG | |
| SCHEMBL17509810 | 0.88 | PPARA (0.68) | TSHRGGPS1PLA2G4BDHFRPPARG | |
| SCHEMBL17509796 | 0.88 | PPARA (0.68) | TSHRGGPS1PLA2G4BDHFRPPARG | |
| SCHEMBL17509781 | 0.88 | PPARA (0.68) | TSHRGGPS1PLA2G4BDHFRPPARG |
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-2144881-B1 | ISOQUINOLINONE DERIVATIVES, PROCESSES FOR THEIR PREPARATION AND THEIR USE IN THE TREATMENT OF CHRONIC OBSTRUCTIVE PULMONARY DISEASE ( COPD ) AND ASTHMA | ASTRAZENECA AB (SE) | 2012-06-20 | — | — | EP | disclosed |