Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 1/20 | 0.56 |
| ▸ | MAPT | P10636 | 1/20 | 0.56 |
| ▸ | ACHE | P22303 | 1/20 | 0.52 |
| ▸ | CA9 | Q16790 | 1/20 | 0.50 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.46 |
| ▸ | ERN1 | O75460 | 1/20 | 0.43 |
| ▸ | HTR2C | P28335 | 2/20 | 0.42 |
| ▸ | HTR2A | P28223 | 1/20 | 0.42 |
| ▸ | HTR2B | P41595 | 1/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.41 |
| ▸ | HPGD | P15428 | 2/20 | 0.41 |
| ▸ | GAA | P10253 | 1/20 | 0.41 |
| ▸ | HTT | P42858 | 1/20 | 0.41 |
| ▸ | HTR1A | P08908 | 1/20 | 0.41 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.41 |
| ▸ | PDE4A | P27815 | 1/20 | 0.41 |
| ▸ | PDE4B | Q07343 | 1/20 | 0.41 |
| ▸ | PDE4C | Q08493 | 1/20 | 0.41 |
| ▸ | PDE4D | Q08499 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL13284182 | 0.87 | TPMT (0.50) | CYP3A4MAPTACHECA9ERN1 | |
| SCHEMBL13813584 | 0.81 | GAA (0.40) | CYP3A4MAPTACHECA9ERN1 | |
| SCHEMBL18667637 | 0.76 | ALDH1A1 (0.40) | CYP3A4MAPTACHECA9ALDH1A1 | |
| SCHEMBL8288344 | 0.74 | CA2 (0.48) | CYP3A4ACHECA9PTGS2ALDH1A1 | |
| SCHEMBL24229666 | 0.74 | ERN1 (0.50) | CYP3A4MAPTERN1ALDH1A1KDM4E | |
| SCHEMBL1402314 | 0.74 | ACHE (0.62) | CYP3A4MAPTACHECA9PTGS2 | |
| SCHEMBL12937497 | 0.73 | CYP3A4 (0.52) | CYP3A4MAPTACHECA9PTGS2 | |
| Antiarol SCHEMBL210578 | 0.72 | CYP3A4 (1.00) | CYP3A4MAPTACHECA9PTGS2 | |
| SCHEMBL14721848 | 0.71 | CYP3A4 (0.50) | CYP3A4MAPTACHECA9PTGS2 | |
| SCHEMBL721861 | 0.71 | ACHE (0.65) | CYP3A4MAPTACHECA9PTGS2 |
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-2011149950-A2 | BICYCLIC HETEROARYL KINASE INHIBITORS AND METHODS OF USE | UNIVERSITY OF ROCHESTER (US) | 2011-12-01 | — | — | WO | disclosed |
| WO-2010068483-A2 | MLK INHIBITORS AND METHODS OF USE | UNIVERSITY OF ROCHESTER (US) | 2010-06-17 | — | — | WO | disclosed |