Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 8/20 | 0.44 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.44 |
| ▸ | HPGD | P15428 | 2/20 | 0.44 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.44 |
| ▸ | CA1 | P00915 | 2/20 | 0.43 |
| ▸ | CA2 | P00918 | 2/20 | 0.43 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.42 |
| ▸ | ELANE | P08246 | 1/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.41 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.41 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.41 |
| ▸ | CCNA2 | P20248 | 2/20 | 0.41 |
| ▸ | CDK2 | P24941 | 2/20 | 0.41 |
| ▸ | CCNA1 | P78396 | 2/20 | 0.41 |
| ▸ | PIK3CD | O00329 | 1/20 | 0.41 |
| ▸ | PIK3R2 | O00459 | 1/20 | 0.41 |
| ▸ | PIK3CA | P42336 | 1/20 | 0.41 |
| ▸ | PIK3CB | P42338 | 1/20 | 0.41 |
| ▸ | PIK3CG | P48736 | 1/20 | 0.41 |
| ▸ | PIK3R5 | Q8WYR1 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL13184 | 0.90 | ALDH1A1 (0.51) | ALDH1A1KDM4EHPGDHSD17B10CA1 | |
| SCHEMBL18082699 | 0.89 | ALDH1A1 (0.46) | ALDH1A1KDM4EHPGDHSD17B10CA1 | |
| SCHEMBL18082643 | 0.88 | ALDH1A1 (0.48) | ALDH1A1KDM4EHPGDHSD17B10CA1 | |
| SCHEMBL18082703 | 0.88 | PIK3CD (0.43) | ALDH1A1KDM4EHPGDHSD17B10CA1 | |
| SCHEMBL18082701 | 0.85 | ALDH1A1 (0.39) | ALDH1A1KDM4EHPGDHSD17B10CA1 | |
| SCHEMBL18082585 | 0.83 | PIK3CD (0.50) | ALDH1A1KDM4EHPGDHSD17B10CA1 | |
| SCHEMBL18082803 | 0.83 | CCNA2 (0.46) | ALDH1A1KDM4EHPGDHSD17B10CA1 | |
| SCHEMBL18082668 | 0.83 | CCNA2 (0.46) | ALDH1A1KDM4EHPGDHSD17B10CA1 | |
| SCHEMBL13194 | 0.81 | PIK3CD (0.54) | ALDH1A1PIK3CDPIK3R2PIK3CAPIK3CB | |
| SCHEMBL18082788 | 0.81 | PIK3CD (0.54) | ALDH1A1KDM4EHPGDHSD17B10NPSR1 |
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-2011058149-A1 | TRICYCLIC PYRAZOL AMINE DERIVATIVES | MERCK SERONO S.A. (CH) | 2011-05-19 | — | — | WO | disclosed |