Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PIK3CD | O00329 | 2/20 | 0.45 |
| ▸ | PIK3CA | P42336 | 2/20 | 0.45 |
| ▸ | PIK3CB | P42338 | 2/20 | 0.45 |
| ▸ | PIK3CG | P48736 | 2/20 | 0.45 |
| ▸ | PRKDC | P78527 | 2/20 | 0.45 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.41 |
| ▸ | MAPT | P10636 | 3/20 | 0.41 |
| ▸ | TP53 | P04637 | 3/20 | 0.41 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.41 |
| ▸ | GAA | P10253 | 1/20 | 0.41 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.41 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.41 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.41 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.41 |
| ▸ | ILK | Q13418 | 1/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.40 |
| ▸ | HTT | P42858 | 1/20 | 0.40 |
| ▸ | MAPK10 | P53779 | 1/20 | 0.40 |
| ▸ | KIT | P10721 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL24114802 | 0.88 | PIK3CD (0.49) | PIK3CDPIK3CAPIK3CBPIK3CGPRKDC | |
| SCHEMBL20074615 | 0.86 | MAPK14 (0.53) | CYP3A4MAPTTP53MAPK1CYP1A2 | |
| SCHEMBL20075139 | 0.86 | IKBKB (0.50) | CYP3A4MAPTTP53MAPK1CYP1A2 | |
| SCHEMBL21711361 | 0.82 | CYP2A6 (0.41) | CYP3A4MAPTTP53MAPK1CYP1A2 | |
| SCHEMBL20075574 | 0.68 | SLC34A1 (0.47) | ILKSMN1; SMN2MAPK14ALDH1A1L3MBTL1 | |
| SCHEMBL18675325 | 0.68 | — | — | |
| SCHEMBL20075599 | 0.67 | SLC34A1 (0.49) | PIK3CDPIK3CAPIK3CBPIK3CGPRKDC | |
| SCHEMBL20075097 | 0.67 | SLC34A1 (0.47) | CYP3A4MAPTTP53MAPK1CYP1A2 | |
| SCHEMBL20075099 | 0.67 | MAPK14 (0.50) | CYP3A4MAPTTP53MAPK1CYP1A2 | |
| SCHEMBL19923002 | 0.67 | ALDH1A1 (0.51) | PIK3CDPIK3CAPIK3CBPIK3CGPRKDC |
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-3526212-B1 | SUBSTITUTED 6-(1H-PYRAZOL-1-YL)PYRIMIDIN-4-AMINE DERIVATIVES AND USES THEREOF | BAYER AG (DE) | 2021-12-22 | — | — | EP | disclosed |
| WO-2018069222-A1 | SUBSTITUTED 6-(1H-PYRAZOL-1-YL)PYRIMIDIN-4-AMINE DERIVATIVES AND USES THEREOF | BAYER AKTIENGESELLSCHAFT (DE) | 2018-04-19 | — | — | WO | disclosed |