Known targets — ChEMBL curated mechanism
ACHEBDKRB2CHRM1CHRM2CHRM3CHRNA1CHRNB1CHRNDCHRNECHRNGGUCY1A1GUCY1A2GUCY1B1GUCY1B2NAMPTPTAFRSLC10A2SLC6A2SLC6A3TACR1dacAdacBdacCftsImrcAmrcBmrdA
The experimentally established mechanism targets of Safingol. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.
Predicted protein targets (top 1)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP19A1 | P11511 | 20/20 | 0.62 |
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 | |
|---|---|---|---|---|
| Safingol SCHEMBL28140538 | 0.99 | CYP19A1 (0.61) | CYP19A1 | |
| Safingol SCHEMBL28212931 | 0.79 | EHMT1 (0.48) | — | |
| SCHEMBL9531145 | 0.78 | CYP19A1 (1.00) | CYP19A1 | |
| Rogletimide SCHEMBL28110686 | 0.78 | CYP19A1 (0.94) | CYP19A1 | |
| Rogletimide SCHEMBL4281 | 0.78 | CYP19A1 (1.00) | CYP19A1 | |
| Aminoglutethimide SCHEMBL28119771 | 0.66 | CYP19A1 (0.94) | CYP19A1 | |
| SCHEMBL1901499 | 0.66 | CYP2D6 (1.00) | — | |
| Dihydrospingosine SCHEMBL3509781 | 0.66 | CYP2D6 (1.00) | — | |
| Dihydrospingosine SCHEMBL7106054 | 0.66 | CYP2D6 (1.00) | — | |
| SCHEMBL21660227 | 0.66 | CYP2D6 (1.00) | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-105793261-B | pyrazolopyrimidine compounds | 大学健康网络 | 2018-11-30 | — | — | CN | disclosed |
| CN-105848680-A | Treatment using bruton's tyrosine kinase inhibitors and immunotherapy | 药品循环有限责任公司 | 2016-08-10 | — | — | CN | disclosed |
| CN-105793261-A | Pyrazolopyrimidine compounds | 大学健康网络 | 2016-07-20 | — | — | CN | disclosed |