Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.41 |
| ▸ | LMNA | P02545 | 1/20 | 0.41 |
| ▸ | NR3C2 | P08235 | 11/20 | 0.39 |
| ▸ | CAPN1 | P07384 | 1/20 | 0.38 |
| ▸ | CCR1 | P32246 | 1/20 | 0.36 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.36 |
| ▸ | AURKA | O14965 | 1/20 | 0.36 |
| ▸ | PRMT1 | Q99873 | 1/20 | 0.36 |
| ▸ | GABRP | O00591 | 1/20 | 0.34 |
| ▸ | GABRD | O14764 | 1/20 | 0.34 |
| ▸ | GABRA1 | P14867 | 1/20 | 0.34 |
| ▸ | GABRB1 | P18505 | 1/20 | 0.34 |
| ▸ | GABRG2 | P18507 | 1/20 | 0.34 |
| ▸ | GABRB3 | P28472 | 1/20 | 0.34 |
| ▸ | GABRA5 | P31644 | 1/20 | 0.34 |
| ▸ | GABRA3 | P34903 | 1/20 | 0.34 |
| ▸ | GABRA2 | P47869 | 1/20 | 0.34 |
| ▸ | GABRB2 | P47870 | 1/20 | 0.34 |
| ▸ | GABRA4 | P48169 | 1/20 | 0.34 |
| ▸ | GABRE | P78334 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL9954937 | 0.93 | NR3C2 (0.38) | ALDH1A1LMNANR3C2CCR1KCNH2 | |
| SCHEMBL3126239 | 0.86 | ALDH1A1 (0.39) | ALDH1A1LMNANR3C2CAPN1AURKA | |
| SCHEMBL3126015 | 0.84 | GABRP (0.42) | ALDH1A1LMNANR3C2CCR1KCNH2 | |
| Hydrochloric Acid SCHEMBL2170122 | 0.80 | LOXL2 (0.41) | ALDH1A1LMNA | |
| SCHEMBL4302917 | 0.79 | NR3C2 (0.38) | NR3C2AURKAGABRPGABRDGABRA1 | |
| SCHEMBL3398155 | 0.78 | FFAR1 (0.48) | ALDH1A1LMNANR3C2CAPN1AURKA | |
| SCHEMBL4311884 | 0.77 | NR3C2 (0.39) | ALDH1A1LMNANR3C2AURKA | |
| SCHEMBL2644514 | 0.77 | LOXL2 (0.49) | CCR1KCNH2 | |
| SCHEMBL23015825 | 0.77 | NR3C2 (0.40) | ALDH1A1LMNANR3C2CAPN1AURKA | |
| SCHEMBL3121506 | 0.77 | ALDH1A1 (0.46) | ALDH1A1LMNACAPN1CCR1KCNH2 |
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 |