Predicted protein targets (top 7)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SLC6A3 | Q01959 | 4/20 | 0.40 |
| ▸ | CASP3 | P42574 | 2/20 | 0.39 |
| ▸ | BACE1 | P56817 | 1/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.38 |
| ▸ | MDM2 | Q00987 | 1/20 | 0.38 |
| ▸ | PIN1 | Q13526 | 1/20 | 0.36 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL20439327 | 0.86 | GPR88 (0.40) | CASP3KMT2AEPHX2 | |
| SCHEMBL21838241 | 0.81 | ITGB1 (0.47) | MDM2 | |
| SCHEMBL30057152 | 0.81 | ITGB1 (0.47) | MDM2 | |
| SCHEMBL21838242 | 0.81 | ITGB1 (0.47) | MDM2 | |
| SCHEMBL6854697 | 0.80 | CASP3 (0.50) | CASP3BACE1KMT2AMDM2EPHX2 | |
| SCHEMBL27303417 | 0.79 | PIN1 (0.45) | SLC6A3CASP3KMT2APIN1EPHX2 | |
| SCHEMBL20439367 | 0.78 | KMT2A (0.51) | CASP3KMT2AEPHX2 | |
| SCHEMBL28404544 | 0.78 | CASP3 (0.43) | CASP3KMT2APIN1EPHX2 | |
| SCHEMBL28404541 | 0.78 | CASP3 (0.43) | CASP3KMT2APIN1EPHX2 | |
| SCHEMBL1827314 | 0.77 | CASP3 (0.51) | CASP3BACE1KMT2AMDM2EPHX2 |
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-2018138739-A1 | NOVEL ANTIESTROGENIC HETEROCYCLIC COMPOUNDS | SUN PHARMA ADVANCED RESEARCH COMPANY LIMITED (IN) | 2018-08-02 | — | — | WO | disclosed |