Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA1 | P00915 | 1/20 | 0.45 |
| ▸ | CA2 | P00918 | 1/20 | 0.45 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.43 |
| ▸ | AKR1A1 | P14550 | 1/20 | 0.43 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.43 |
| ▸ | HTR2A | P28223 | 1/20 | 0.43 |
| ▸ | HTR2C | P28335 | 1/20 | 0.43 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.43 |
| ▸ | HRH1 | P35367 | 1/20 | 0.43 |
| ▸ | DRD3 | P35462 | 1/20 | 0.43 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.43 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.43 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.43 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.43 |
| ▸ | TSHR | P16473 | 4/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.41 |
| ▸ | NFKB1 | P19838 | 2/20 | 0.41 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.41 |
| ▸ | GRIK1 | P39086 | 3/20 | 0.41 |
| ▸ | GRIK2 | Q13002 | 3/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL17343614 | 1.00 | CA1 (0.45) | CA1CA2CHRM1AKR1A1CHRM3 | |
| SCHEMBL28191059 | 0.88 | CA2 (0.62) | CA1CA2TSHRCYP3A4GRIK1 | |
| SCHEMBL26088512 | 0.87 | GRIK1 (0.47) | CA1CA2SLC6A3TSHRNFKB1 | |
| SCHEMBL4019615 | 0.85 | CA2 (0.53) | CA1CA2TSHRCYP3A4GRIK1 | |
| SCHEMBL30197469 | 0.85 | CA2 (0.53) | CA1CA2TSHRCYP3A4GRIK1 | |
| SCHEMBL10441902 | 0.85 | CA2 (0.53) | CA1CA2TSHRCYP3A4GRIK1 | |
| SCHEMBL4013782 | 0.85 | CA2 (0.53) | CA1CA2TSHRCYP3A4GRIK1 | |
| SCHEMBL28209930 | 0.85 | CA2 (0.53) | CA1CA2TSHRCYP3A4GRIK1 | |
| SCHEMBL27448303 | 0.85 | CA2 (0.53) | CA1CA2TSHRCYP3A4GRIK1 | |
| SCHEMBL28373909 | 0.83 | CA2 (0.52) | CA1CA2TSHRCYP3A4GRIK1 |
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-117378604-A | Pesticide composition for stem and leaf treatment | 组合化学工业株式会社 | 2024-01-12 | — | — | CN | disclosed |
| WO-2020160192-A1 | COMPOUNDS AND USES THEREOF | FOGHORN THERAPEUTICS INC. (US) | 2020-08-06 | — | — | WO | disclosed |