Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.39 |
| ▸ | ALOX15 | P16050 | 2/20 | 0.39 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.37 |
| ▸ | CCNA2 | P20248 | 1/20 | 0.37 |
| ▸ | CDK2 | P24941 | 1/20 | 0.37 |
| ▸ | CCNA1 | P78396 | 1/20 | 0.37 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.36 |
| ▸ | PDE10A | Q9Y233 | 3/20 | 0.36 |
| ▸ | PIK3CD | O00329 | 2/20 | 0.36 |
| ▸ | PIK3R2 | O00459 | 2/20 | 0.36 |
| ▸ | PIK3CA | P42336 | 2/20 | 0.36 |
| ▸ | PIK3CB | P42338 | 2/20 | 0.36 |
| ▸ | PIK3CG | P48736 | 2/20 | 0.36 |
| ▸ | PIK3R5 | Q8WYR1 | 2/20 | 0.36 |
| ▸ | PIK3R3 | Q92569 | 2/20 | 0.36 |
| ▸ | ACHE | P22303 | 1/20 | 0.35 |
| ▸ | PDE7A | Q13946 | 1/20 | 0.34 |
| ▸ | HCRTR1 | O43613 | 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 | |
|---|---|---|---|---|
| SCHEMBL12046654 | 0.90 | KMT2A (0.37) | KDM4EALOX15HSD17B10ALDH1A1KMT2A | |
| SCHEMBL12060227 | 0.89 | MAPT (0.44) | KDM4EALDH1A1CCNA2CDK2CCNA1 | |
| SCHEMBL1160322 | 0.87 | PDE10A (0.41) | KMT2APDE10APIK3CDPIK3R2PIK3CA | |
| SCHEMBL15850625 | 0.85 | CCNA2 (0.46) | ALDH1A1CCNA2CDK2CCNA1ACHE | |
| SCHEMBL15850652 | 0.84 | CCNA2 (0.45) | ALDH1A1KMT2ACCNA2CDK2CCNA1 | |
| SCHEMBL12046637 | 0.82 | CCNA2 (0.46) | KDM4EALDH1A1CCNA2CDK2CCNA1 | |
| SCHEMBL12046655 | 0.81 | SLC5A1 (0.43) | KDM4EALDH1A1CCNA2CDK2CCNA1 | |
| SCHEMBL12046636 | 0.81 | CCNA2 (0.40) | KDM4ECCNA2CDK2CCNA1PDE10A | |
| SCHEMBL1199331 | 0.80 | PDE10A (0.42) | ALDH1A1KMT2ACCNA2CDK2CCNA1 | |
| SCHEMBL1198810 | 0.78 | PDE7A (0.41) | ALDH1A1PDE10APIK3CDPIK3R2PIK3CA |
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-2459551-B1 | DIHYDROBENZOINDAZOLES | MERCK SHARP & DOHME (NL) | 2014-07-02 | — | — | EP | disclosed |
| US-8071589-B2 | Dihydrobenzoindazoles | N. V. ORGANON (NL) | 2011-12-06 | — | — | US | disclosed |