Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.50 |
| ▸ | CA1 | P00915 | 2/20 | 0.46 |
| ▸ | CA2 | P00918 | 2/20 | 0.46 |
| ▸ | CA9 | Q16790 | 2/20 | 0.46 |
| ▸ | CA14 | Q9ULX7 | 2/20 | 0.46 |
| ▸ | CA12 | O43570 | 1/20 | 0.46 |
| ▸ | CA5A | P35218 | 1/20 | 0.46 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.44 |
| ▸ | ATM | Q13315 | 1/20 | 0.44 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.43 |
| ▸ | OR51E2 | Q9H255 | 1/20 | 0.43 |
| ▸ | AOC3 | Q16853 | 1/20 | 0.43 |
| ▸ | MEN1 | O00255 | 2/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.43 |
| ▸ | LMNA | P02545 | 2/20 | 0.43 |
| ▸ | CYP19A1 | P11511 | 2/20 | 0.43 |
| ▸ | CA7 | P43166 | 1/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL3128947 | 0.93 | SMN1; SMN2 (0.49) | SMN1; SMN2CA1CA2CA9CA14 | |
| SCHEMBL3129382 | 0.89 | ALOX5 (0.47) | SMN1; SMN2CA1CA2CA9CA14 | |
| SCHEMBL1032004 | 0.83 | KDM4E (0.62) | CA1CA2CA9CA12KDM4E | |
| SCHEMBL28176844 | 0.83 | KDM4E (0.62) | CA1CA2CA9CA12KDM4E | |
| Hydrochloric Acid SCHEMBL10448977 | 0.82 | KDM4E (0.61) | CA1CA2CA9CA12KDM4E | |
| SCHEMBL3131696 | 0.81 | ALDH1A1 (0.46) | CA1CA2KDM4EALOX5OR51E2 | |
| SCHEMBL3465918 | 0.78 | SMN1; SMN2 (0.48) | SMN1; SMN2CA2KDM4EKMT2AALDH1A1 | |
| SCHEMBL28780839 | 0.78 | L3MBTL1 (0.49) | LMNAALDH1A1 | |
| SCHEMBL14892303 | 0.78 | HTT (0.54) | KDM4EATMALOX5OR51E2LMNA | |
| SCHEMBL4094627 | 0.78 | CDK8 (0.55) | SMN1; SMN2CA1CA2KDM4EATM |
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 |