Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SLC6A2 | P23975 | 4/20 | 0.37 |
| ▸ | AR | P10275 | 2/20 | 0.35 |
| ▸ | HCAR3 | P49019 | 1/20 | 0.34 |
| ▸ | TRPV1 | Q8NER1 | 1/20 | 0.33 |
| ▸ | CSNK1D | P48730 | 1/20 | 0.32 |
| ▸ | MAPK11 | Q15759 | 1/20 | 0.32 |
| ▸ | MAPK14 | Q16539 | 1/20 | 0.32 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.32 |
| ▸ | EGFR | P00533 | 2/20 | 0.32 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.31 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.31 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.31 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.31 |
| ▸ | TSHR | P16473 | 1/20 | 0.31 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL1873126 | 0.85 | ADRA2A (0.37) | SLC6A2ARKDM4EALDH1A1 | |
| SCHEMBL31162515 | 0.84 | POLB (0.41) | ARKDM4EALDH1A1EGFR | |
| SCHEMBL31162481 | 0.84 | MAPT (0.40) | KDM4EALDH1A1CYP1A2CYP3A4CYP2D6 | |
| SCHEMBL25963028 | 0.81 | NOS1 (0.39) | — | |
| SCHEMBL1872569 | 0.81 | IGLV6-57 (0.38) | SLC6A2ARALDH1A1CYP3A4CYP2D6 | |
| SCHEMBL19037804 | 0.80 | UHRF1 (0.42) | SLC6A2HCAR3TRPV1CSNK1DMAPK11 | |
| SCHEMBL30345719 | 0.77 | ALDH1A1 (0.50) | KDM4EALDH1A1EGFRCYP1A2CYP2D6 | |
| SCHEMBL504133 | 0.77 | ALDH1A1 (0.50) | KDM4EALDH1A1EGFRCYP1A2CYP2D6 | |
| SCHEMBL31207377 | 0.76 | AR (0.39) | ARKDM4EALDH1A1 | |
| SCHEMBL5314271 | 0.75 | IP6K1 (0.46) | SLC6A2KDM4EALDH1A1CYP1A2CYP3A4 |
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-2346868-A1 | AZAINDAZOLE COMPOUNDS AS CCR1 RECEPTOR ANTAGONISTS | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2011-07-27 | — | — | EP | disclosed |
| WO-2010036632-A1 | AZAINDAZOLE COMPOUNDS AS CCR1 RECEPTOR ANTAGONISTS | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2010-04-01 | — | — | WO | disclosed |