Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA2 | P00918 | 2/20 | 0.54 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.54 |
| ▸ | CHRM1 | P11229 | 2/20 | 0.44 |
| ▸ | CHRM3 | P20309 | 2/20 | 0.44 |
| ▸ | AKR1A1 | P14550 | 1/20 | 0.44 |
| ▸ | HTR2A | P28223 | 1/20 | 0.44 |
| ▸ | HTR2C | P28335 | 1/20 | 0.44 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.44 |
| ▸ | HRH1 | P35367 | 1/20 | 0.44 |
| ▸ | DRD3 | P35462 | 1/20 | 0.44 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.44 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.44 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.44 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.44 |
| ▸ | SLC1A3 | P43003 | 3/20 | 0.42 |
| ▸ | SLC1A2 | P43004 | 3/20 | 0.42 |
| ▸ | SLC1A1 | P43005 | 3/20 | 0.42 |
| ▸ | GCLC | P48506 | 2/20 | 0.38 |
| ▸ | GRIK1 | P39086 | 1/20 | 0.35 |
| ▸ | GRIK2 | Q13002 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL8587841 | 0.88 | CA2 (0.61) | CA2MAPK1CHRM1CHRM3AKR1A1 | |
| SCHEMBL15033639 | 0.85 | CHRM1 (0.43) | CA2MAPK1CHRM1CHRM3AKR1A1 | |
| SCHEMBL11674952 | 0.84 | CA2 (0.57) | CA2MAPK1CHRM1CHRM3AKR1A1 | |
| SCHEMBL10797285 | 0.83 | FOLH1 (0.50) | CA2MAPK1CHRM1CHRM3AKR1A1 | |
| SCHEMBL15900035 | 0.83 | FOLH1 (0.52) | CA2MAPK1CHRM1CHRM3AKR1A1 | |
| SCHEMBL6821183 | 0.83 | TSHR (0.37) | CA2MAPK1CHRM1CHRM3LMNA | |
| SCHEMBL10357849 | 0.82 | CA2 (0.59) | CA2MAPK1CHRM1CHRM3AKR1A1 | |
| SCHEMBL7145291 | 0.82 | FOLH1 (0.52) | CHRM1CHRM3AKR1A1HTR2AHTR2C | |
| SCHEMBL4268769 | 0.80 | CHRM1 (0.39) | CA2MAPK1CHRM1CHRM3AKR1A1 | |
| SCHEMBL8368605 | 0.80 | CA2 (0.56) | CA2MAPK1CHRM1CHRM3AKR1A1 |
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-114405547-A | Metal complexes | 利兹大学 | 2022-04-29 | — | — | CN | disclosed |