Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR1 | P03372 | 2/20 | 0.39 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.39 |
| ▸ | PDE10A | Q9Y233 | 1/20 | 0.37 |
| ▸ | LOXL2 | Q9Y4K0 | 2/20 | 0.36 |
| ▸ | CPB2 | Q96IY4 | 1/20 | 0.36 |
| ▸ | PTGS1 | P23219 | 3/20 | 0.34 |
| ▸ | PTGS2 | P35354 | 3/20 | 0.34 |
| ▸ | LMNA | P02545 | 2/20 | 0.34 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.34 |
| ▸ | AKR1C3 | P42330 | 2/20 | 0.34 |
| ▸ | CXCR1 | P25024 | 2/20 | 0.34 |
| ▸ | CXCR2 | P25025 | 2/20 | 0.34 |
| ▸ | ALB | P02768 | 1/20 | 0.34 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.34 |
| ▸ | RARB | P10826 | 1/20 | 0.34 |
| ▸ | ADRB3 | P13945 | 1/20 | 0.34 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.34 |
| ▸ | HTR2A | P28223 | 1/20 | 0.34 |
| ▸ | NR1I3 | Q14994 | 1/20 | 0.34 |
| ▸ | SLC22A6 | Q4U2R8 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL18858527 | 0.86 | ESR1 (0.42) | ESR1ESR2PDE10ACPB2PTGS1 | |
| SCHEMBL12810601 | 0.82 | HRH3 (0.47) | ESR1ESR2PDE10ALMNAS1PR1 | |
| SCHEMBL18080786 | 0.81 | CPB2 (0.44) | ESR1ESR2CPB2PTGS1PTGS2 | |
| SCHEMBL31435337 | 0.81 | ESR1 (0.39) | ESR1ESR2PDE10APTGS1PTGS2 | |
| SCHEMBL31435312 | 0.81 | ESR1 (0.42) | ESR1ESR2PDE10ACPB2PTGS1 | |
| SCHEMBL15316716 | 0.79 | SMN1; SMN2 (0.40) | ESR1ESR2PDE10ALMNANFKB1 | |
| SCHEMBL2642671 | 0.79 | LOXL2 (0.44) | LOXL2HRH3RRM2ADRB2 | |
| SCHEMBL18924411 | 0.78 | CHRNB2 (0.42) | ESR1ESR2PDE10ATSHRS1PR1 | |
| SCHEMBL19891694 | 0.78 | ESR1 (0.38) | ESR1ESR2PDE10AS1PR1P2RX3 | |
| SCHEMBL12249672 | 0.78 | HRH3 (0.42) | LOXL2HRH3RRM2ADRB2 |
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-116354923-A | Nitrogen-containing heterocyclic compound and application thereof | 江苏恩华药业股份有限公司 | 2023-06-30 | — | — | CN | disclosed |