Predicted protein targets (top 7)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PDE4B | Q07343 | 9/20 | 0.35 |
| ▸ | NR3C1 | P04150 | 4/20 | 0.34 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.33 |
| ▸ | NNMT | P40261 | 3/20 | 0.33 |
| ▸ | SYK | P43405 | 1/20 | 0.32 |
| ▸ | LRRK2 | Q5S007 | 1/20 | 0.32 |
| ▸ | CASP1 | P29466 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL3132549 | 0.89 | PDE4B (0.34) | PDE4BNR3C1CYP3A4NNMTLRRK2 | |
| SCHEMBL3129712 | 0.82 | PDE4B (0.36) | PDE4BNR3C1CYP3A4NNMTLRRK2 | |
| SCHEMBL3126713 | 0.81 | NNMT (0.36) | PDE4BNR3C1CYP3A4NNMTLRRK2 | |
| SCHEMBL12075911 | 0.71 | NR3C1 (0.36) | PDE4BNR3C1CYP3A4NNMTSYK | |
| SCHEMBL12076226 | 0.69 | NR3C1 (0.35) | PDE4BNR3C1CYP3A4NNMTSYK | |
| SCHEMBL27827248 | 0.68 | NFE2L2 (0.32) | — | |
| SCHEMBL14813627 | 0.63 | KDM4E (0.45) | — | |
| Hydrochloric Acid SCHEMBL3855171 | 0.62 | KDM6B (0.43) | NR3C1CYP3A4 | |
| SCHEMBL3465567 | 0.62 | ALDH1A1 (0.32) | SYK | |
| SCHEMBL3466088 | 0.62 | PIK3CD (0.33) | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2010036632-A1 | AZAINDAZOLE COMPOUNDS AS CCR1 RECEPTOR ANTAGONISTS | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2010-04-01 | — | — | WO | disclosed |