Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM1A | O60341 | 1/20 | 0.43 |
| ▸ | BCHE | P06276 | 1/20 | 0.38 |
| ▸ | DRD1 | P21728 | 2/20 | 0.36 |
| ▸ | PDK1 | Q15118 | 1/20 | 0.35 |
| ▸ | DRD3 | P35462 | 5/20 | 0.35 |
| ▸ | PIK3CD | O00329 | 1/20 | 0.34 |
| ▸ | PIK3R2 | O00459 | 1/20 | 0.34 |
| ▸ | PIK3CA | P42336 | 1/20 | 0.34 |
| ▸ | PIK3CB | P42338 | 1/20 | 0.34 |
| ▸ | PIK3CG | P48736 | 1/20 | 0.34 |
| ▸ | PIK3R5 | Q8WYR1 | 1/20 | 0.34 |
| ▸ | PIK3R3 | Q92569 | 1/20 | 0.34 |
| ▸ | CARM1 | Q86X55 | 1/20 | 0.33 |
| ▸ | PRMT6 | Q96LA8 | 1/20 | 0.33 |
| ▸ | DRD2 | P14416 | 1/20 | 0.32 |
| ▸ | DRD4 | P21917 | 1/20 | 0.32 |
| ▸ | DRD5 | P21918 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL18082887 | 0.84 | SIGMAR1 (0.46) | BCHEDRD1DRD3CARM1PRMT6 | |
| SCHEMBL12446 | 0.82 | KDM1A (0.46) | KDM1ADRD1PDK1PIK3CDPIK3R2 | |
| SCHEMBL12781 | 0.82 | KDM1A (0.46) | KDM1ADRD1PDK1PIK3CDPIK3R2 | |
| SCHEMBL12449672 | 0.82 | KDM1A (0.46) | KDM1ADRD1PDK1PIK3CDPIK3R2 | |
| SCHEMBL12234177 | 0.81 | KDM1A (0.50) | KDM1ADRD1PDK1DRD3PIK3CD | |
| SCHEMBL18082862 | 0.80 | KDM1A (0.49) | KDM1ADRD1PDK1DRD3PIK3CD | |
| SCHEMBL17277354 | 0.79 | CYP1A2 (0.42) | BCHE | |
| SCHEMBL25111811 | 0.78 | KDM1A (0.40) | KDM1ADRD1PDK1DRD3PIK3CD | |
| Fluoride SCHEMBL30329860 | 0.78 | DRD4 (0.49) | BCHEDRD1DRD3DRD2DRD4 | |
| SCHEMBL26770451 | 0.76 | KDM1A (0.38) | KDM1ADRD1PDK1DRD3PIK3CD |
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 |