Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM1A | O60341 | 1/20 | 0.46 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.41 |
| ▸ | PDK1 | Q15118 | 1/20 | 0.41 |
| ▸ | HRH3 | Q9Y5N1 | 5/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.39 |
| ▸ | LMNA | P02545 | 2/20 | 0.39 |
| ▸ | MAPT | P10636 | 1/20 | 0.39 |
| ▸ | HPGD | P15428 | 1/20 | 0.39 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.39 |
| ▸ | DRD1 | P21728 | 1/20 | 0.39 |
| ▸ | PIK3CD | O00329 | 1/20 | 0.38 |
| ▸ | PIK3R2 | O00459 | 1/20 | 0.38 |
| ▸ | PIK3CA | P42336 | 1/20 | 0.38 |
| ▸ | PIK3CB | P42338 | 1/20 | 0.38 |
| ▸ | PIK3CG | P48736 | 1/20 | 0.38 |
| ▸ | PIK3R5 | Q8WYR1 | 1/20 | 0.38 |
| ▸ | PIK3R3 | Q92569 | 1/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL12446 | 1.00 | KDM1A (0.46) | KDM1AKDM4EPDK1HRH3ALDH1A1 | |
| SCHEMBL12449672 | 1.00 | KDM1A (0.46) | KDM1AKDM4EPDK1HRH3ALDH1A1 | |
| SCHEMBL12234177 | 0.85 | KDM1A (0.50) | KDM1AKDM4EPDK1HRH3ALDH1A1 | |
| SCHEMBL12449639 | 0.84 | KDM4E (0.45) | KDM4EHRH3ALDH1A1LMNAMAPT | |
| SCHEMBL13017 | 0.84 | KDM4E (0.45) | KDM4EHRH3ALDH1A1LMNAMAPT | |
| SCHEMBL18082862 | 0.84 | KDM1A (0.49) | KDM1APDK1HRH3DRD1PIK3CD | |
| SCHEMBL13433 | 0.84 | KDM4E (0.45) | KDM4EHRH3ALDH1A1LMNAMAPT | |
| SCHEMBL12449667 | 0.82 | EBP (0.46) | KDM4EHRH3ALDH1A1LMNAMAPT | |
| SCHEMBL12449668 | 0.82 | EBP (0.46) | KDM4EHRH3ALDH1A1LMNAMAPT | |
| SCHEMBL12439 | 0.82 | KDM1A (0.43) | KDM1APDK1DRD1PIK3CDPIK3R2 |
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 |