Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP19A1 | P11511 | 5/20 | 0.56 |
| ▸ | PPARG | P37231 | 2/20 | 0.44 |
| ▸ | PPARD | Q03181 | 1/20 | 0.44 |
| ▸ | PPARA | Q07869 | 1/20 | 0.44 |
| ▸ | CNR1 | P21554 | 2/20 | 0.44 |
| ▸ | CNR2 | P34972 | 2/20 | 0.44 |
| ▸ | TRPV1 | Q8NER1 | 2/20 | 0.44 |
| ▸ | SLC6A3 | Q01959 | 2/20 | 0.44 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.44 |
| ▸ | INHA | P05111 | 1/20 | 0.44 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.44 |
| ▸ | HTR2A | P28223 | 1/20 | 0.44 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.44 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.44 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.44 |
| ▸ | TRPM8 | Q7Z2W7 | 1/20 | 0.44 |
| ▸ | TRPV3 | Q8NET8 | 1/20 | 0.44 |
| ▸ | TRPV4 | Q9HBA0 | 1/20 | 0.44 |
| ▸ | TRPV2 | Q9Y5S1 | 1/20 | 0.44 |
| ▸ | MAOB | P27338 | 2/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL11762041 | 0.87 | CYP19A1 (0.48) | CYP19A1PPARGPPARDPPARACNR1 | |
| SCHEMBL10635772 | 0.81 | CYP19A1 (0.50) | CYP19A1PPARGPPARDPPARASMPD1 | |
| SCHEMBL1954870 | 0.80 | ALOX5 (0.47) | CYP19A1CNR1CNR2PGAM1ALOX5 | |
| SCHEMBL11759776 | 0.80 | SMPD1 (0.40) | CYP19A1PPARGPPARDPPARAMAOB | |
| SCHEMBL28877162 | 0.76 | ALOX5 (0.49) | SMPD1PGAM1ALOX5PTGS2GPR84 | |
| SCHEMBL28397047 | 0.76 | PGAM1 (0.39) | CNR1CNR2PGAM1ALOX5PTGS2 | |
| SCHEMBL5932059 | 0.76 | MAOB (0.62) | CYP19A1PPARGPPARAMAOBMAOA | |
| SCHEMBL28841856 | 0.74 | PGAM1 (0.40) | CNR1CNR2PGAM1ALOX5PTGS2 | |
| SCHEMBL24997668 | 0.73 | PPARG (0.78) | CYP19A1PPARGPPARACNR1CNR2 | |
| SCHEMBL25341683 | 0.73 | PPARG (0.78) | CYP19A1PPARGPPARACNR1CNR2 |
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 |
|---|---|---|---|---|---|---|---|
| CN-112979600-B | Split-ring acyl phloroglucinol compounds and application thereof in preparation of anti-cancer drugs | 厦门大学 | 2022-11-08 | — | — | CN | disclosed |
| CN-112979600-A | Split-ring acyl phloroglucinol compounds and application thereof in preparation of anti-cancer drugs | 厦门大学 | 2021-06-18 | — | — | CN | disclosed |