Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR2 | Q92731 | 2/20 | 0.53 |
| ▸ | NR1H2 | P55055 | 1/20 | 0.52 |
| ▸ | MAPT | P10636 | 2/20 | 0.47 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.47 |
| ▸ | DRD1 | P21728 | 4/20 | 0.46 |
| ▸ | STS | P08842 | 1/20 | 0.46 |
| ▸ | HTR1A | P08908 | 1/20 | 0.45 |
| ▸ | ABHD6 | Q9BV23 | 1/20 | 0.45 |
| ▸ | TAS1R3 | Q7RTX0 | 1/20 | 0.44 |
| ▸ | TAS1R1 | Q7RTX1 | 1/20 | 0.44 |
| ▸ | TAS1R2 | Q8TE23 | 1/20 | 0.44 |
| ▸ | P2RX3 | P56373 | 2/20 | 0.44 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.44 |
| ▸ | ESR1 | P03372 | 1/20 | 0.43 |
| ▸ | ABCB1 | P08183 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL20522879 | 1.00 | ESR2 (0.53) | ESR2NR1H2MAPTKDM4EDRD1 | |
| SCHEMBL17462458 | 0.89 | ESR2 (0.52) | ESR2NR1H2MAPTKDM4EDRD1 | |
| SCHEMBL31013875 | 0.89 | ESR2 (0.52) | ESR2NR1H2MAPTKDM4ESTS | |
| SCHEMBL17462457 | 0.89 | ESR2 (0.62) | ESR2NR1H2MAPTKDM4ESTS | |
| SCHEMBL23684088 | 0.88 | ESR2 (0.51) | ESR2NR1H2MAPTKDM4ESTS | |
| SCHEMBL23683907 | 0.88 | ESR2 (0.51) | ESR2NR1H2MAPTKDM4ESTS | |
| SCHEMBL17463408 | 0.87 | ESR2 (0.46) | ESR2NR1H2MAPTKDM4ESTS | |
| SCHEMBL17463411 | 0.86 | ABCB1 (0.46) | ESR2NR1H2MAPTKDM4EP2RX3 | |
| SCHEMBL17462461 | 0.85 | ESR2 (0.49) | ESR2NR1H2MAPTKDM4EDRD1 | |
| SCHEMBL17462455 | 0.85 | ESR2 (0.52) | ESR2NR1H2MAPTKDM4ESTS |
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-110461829-B | Substituted isoquinoline derivatives as immunomodulators | 百时美施贵宝公司 | 2023-02-28 | — | — | CN | disclosed |