Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADRA2A | P08913 | 4/20 | 0.45 |
| ▸ | CYP19A1 | P11511 | 2/20 | 0.38 |
| ▸ | ADRA2B | P18089 | 2/20 | 0.35 |
| ▸ | ADRA2C | P18825 | 2/20 | 0.35 |
| ▸ | ADRA1A | P35348 | 2/20 | 0.35 |
| ▸ | AR | P10275 | 1/20 | 0.33 |
| ▸ | CA2 | P00918 | 1/20 | 0.32 |
| ▸ | CCNT1 | O60563 | 1/20 | 0.32 |
| ▸ | CCNE1 | P24864 | 1/20 | 0.32 |
| ▸ | CDK2 | P24941 | 1/20 | 0.32 |
| ▸ | CDK9 | P50750 | 1/20 | 0.32 |
| ▸ | PTGS2 | P35354 | 6/20 | 0.32 |
| ▸ | PGR | P06401 | 1/20 | 0.32 |
| ▸ | PKM | P14618 | 1/20 | 0.31 |
| ▸ | PKLR | P30613 | 1/20 | 0.31 |
| ▸ | HTT | P42858 | 1/20 | 0.31 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL30564481 | 0.86 | ADRA2A (0.45) | ADRA2AADRA2BADRA2CADRA1A | |
| SCHEMBL5565823 | 0.68 | PTGS2 (0.32) | PTGS2PTGS1 | |
| SCHEMBL30779660 | 0.64 | PARP1 (0.54) | ADRA2ACYP19A1CA2PGR | |
| SCHEMBL18331030 | 0.64 | PARP1 (0.54) | ADRA2ACYP19A1CA2PGR | |
| SCHEMBL8131094 | 0.62 | GAA (0.41) | PTGS2PTGS1 | |
| SCHEMBL9740321 | 0.61 | MAOA (0.52) | CYP19A1 | |
| SCHEMBL1265527 | 0.61 | CYP19A1 (0.46) | ADRA2ACYP19A1 | |
| SCHEMBL4139118 | 0.61 | PKM (0.50) | ADRA2CADRA1AARPTGS2PKM | |
| SCHEMBL4795791 | 0.60 | ADRA2A (0.42) | ADRA2ACYP19A1CA2CCNE1CDK2 | |
| SCHEMBL19681499 | 0.60 | PGR (0.51) | ADRA2ACYP19A1ARPGR |
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 |
|---|---|---|---|---|---|---|---|
| CN-116715658-A | Benzocyclic ketone derivative regulator, preparation method and application thereof | 上海翰森生物医药科技有限公司 | 2023-09-08 | — | — | CN | disclosed |