Known targets — ChEMBL curated mechanism
BTKCACNA1CCACNA1DCACNA1FCACNA1SCACNA2D1CACNA2D2DRD2GABRA1GABRA2GABRA3GABRA4GABRA5GABRA6GABRB1GABRB2GABRB3GABRDGABREGABRG1GABRG2GABRG3GABRPGABRQHRH1HTR2AP2RY12
The experimentally established mechanism targets of Roginolisib. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.
Predicted protein targets (top 7)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PIK3CD | O00329 | 20/20 | 0.87 |
| ▸ | PIK3R2 | O00459 | 20/20 | 0.87 |
| ▸ | PIK3CA | P42336 | 20/20 | 0.87 |
| ▸ | PIK3CB | P42338 | 20/20 | 0.87 |
| ▸ | PIK3CG | P48736 | 20/20 | 0.87 |
| ▸ | PIK3R5 | Q8WYR1 | 20/20 | 0.87 |
| ▸ | PIK3R3 | Q92569 | 20/20 | 0.87 |
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 | |
|---|---|---|---|---|
| Roginolisib SCHEMBL12849 | 0.93 | PIK3CD (1.00) | PIK3CDPIK3R2PIK3CAPIK3CBPIK3CG | |
| Roginolisib SCHEMBL29515379 | 0.93 | PIK3CD (1.00) | PIK3CDPIK3R2PIK3CAPIK3CBPIK3CG | |
| SCHEMBL14782 | 0.88 | PIK3CD (0.86) | PIK3CDPIK3R2PIK3CAPIK3CBPIK3CG | |
| Roginolisib SCHEMBL15942390 | 0.87 | PIK3CD (0.84) | PIK3CDPIK3R2PIK3CAPIK3CBPIK3CG | |
| SCHEMBL8558 | 0.86 | PIK3CD (1.00) | PIK3CDPIK3R2PIK3CAPIK3CBPIK3CG | |
| SCHEMBL30460537 | 0.85 | PIK3CD (0.84) | PIK3CDPIK3R2PIK3CAPIK3CBPIK3CG | |
| SCHEMBL30174992 | 0.85 | PIK3CD (0.84) | PIK3CDPIK3R2PIK3CAPIK3CBPIK3CG | |
| SCHEMBL25224835 | 0.85 | PIK3CD (0.83) | PIK3CDPIK3R2PIK3CAPIK3CBPIK3CG | |
| SCHEMBL30443259 | 0.85 | PIK3CD (0.83) | PIK3CDPIK3R2PIK3CAPIK3CBPIK3CG | |
| SCHEMBL12878 | 0.84 | PIK3CD (0.83) | PIK3CDPIK3R2PIK3CAPIK3CBPIK3CG |
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 |
|---|---|---|---|---|---|---|---|
| WO-2014121901-A1 | POLYMORPHIC FORMS | MERCK PATENT GMBH (DE) | 2014-08-14 | — | — | WO | claimed |
| WO-2014121901-A1 | POLYMORPHIC FORMS | MERCK PATENT GMBH (DE) | 2014-08-14 | — | — | WO | disclosed |