Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TAAR1 | Q96RJ0 | 3/20 | 0.57 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.48 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.48 |
| ▸ | AOC3 | Q16853 | 1/20 | 0.46 |
| ▸ | IDO1 | P14902 | 1/20 | 0.44 |
| ▸ | TDO2 | P48775 | 1/20 | 0.44 |
| ▸ | GBA1 | P04062 | 1/20 | 0.42 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.41 |
| ▸ | HDAC7 | Q8WUI4 | 1/20 | 0.41 |
| ▸ | HDAC5 | Q9UQL6 | 1/20 | 0.41 |
| ▸ | ACHE | P22303 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL3005201 | 0.85 | TAAR1 (0.70) | TAAR1AOC3HDAC4 | |
| SCHEMBL11465147 | 0.85 | TAAR1 (0.44) | TAAR1SLC6A2SLC6A4AOC3IDO1 | |
| SCHEMBL11115392 | 0.85 | TAAR1 (0.44) | TAAR1SLC6A2SLC6A4AOC3IDO1 | |
| SCHEMBL12671605 | 0.82 | HDAC4 (0.53) | AOC3IDO1TDO2HDAC4HDAC7 | |
| SCHEMBL20992899 | 0.82 | HDAC4 (0.53) | AOC3IDO1TDO2HDAC4HDAC7 | |
| SCHEMBL14512274 | 0.82 | HDAC4 (0.53) | AOC3IDO1TDO2HDAC4HDAC7 | |
| SCHEMBL778198 | 0.82 | HDAC4 (0.53) | AOC3IDO1TDO2HDAC4HDAC7 | |
| SCHEMBL14415571 | 0.81 | SLC6A2 (0.46) | TAAR1SLC6A2SLC6A4AOC3IDO1 | |
| SCHEMBL14415572 | 0.81 | SLC6A2 (0.46) | TAAR1SLC6A2SLC6A4AOC3IDO1 | |
| SCHEMBL6001269 | 0.81 | SLC6A2 (0.46) | TAAR1SLC6A2SLC6A4AOC3IDO1 |
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 |
|---|---|---|---|---|---|---|---|
| EP-2297112-A1 | PYRAZOLE COMPOUNDS AS CCR1 ANTAGONISTS | Boehringer Ingelheim International GmbH (DE) | 2011-03-23 | — | — | EP | disclosed |
| WO-2009137338-A1 | PYRAZOLE COMPOUNDS AS CCR1 ANTAGONISTS | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2009-11-12 | — | — | WO | disclosed |