Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA2 | P00918 | 2/20 | 0.56 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.56 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.46 |
| ▸ | AKR1A1 | P14550 | 1/20 | 0.46 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.46 |
| ▸ | HTR2A | P28223 | 1/20 | 0.46 |
| ▸ | HTR2C | P28335 | 1/20 | 0.46 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.46 |
| ▸ | HRH1 | P35367 | 1/20 | 0.46 |
| ▸ | DRD3 | P35462 | 1/20 | 0.46 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.46 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.46 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.46 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.46 |
| ▸ | SLC1A1 | P43005 | 3/20 | 0.43 |
| ▸ | SLC1A3 | P43003 | 2/20 | 0.43 |
| ▸ | SLC1A2 | P43004 | 2/20 | 0.43 |
| ▸ | GCLC | P48506 | 2/20 | 0.42 |
| ▸ | CA1 | P00915 | 1/20 | 0.41 |
| ▸ | USP2 | O75604 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL2231194 | 0.87 | CA2 (0.63) | CA2MAPK1CHRM1AKR1A1CHRM3 | |
| SCHEMBL13355346 | 0.85 | CA2 (0.61) | CA2MAPK1CHRM1AKR1A1CHRM3 | |
| SCHEMBL5514967 | 0.84 | HDAC1 (0.70) | CA2MAPK1CHRM1AKR1A1CHRM3 | |
| SCHEMBL8407645 | 0.84 | CA2 (0.58) | CA2MAPK1CHRM1AKR1A1CHRM3 | |
| SCHEMBL18951914 | 0.82 | TSHR (0.43) | CA2MAPK1CHRM1AKR1A1CHRM3 | |
| SCHEMBL28210984 | 0.82 | CA2 (0.41) | CA2MAPK1CHRM1AKR1A1CHRM3 | |
| SCHEMBL12002963 | 0.82 | FOLH1 (0.56) | CHRM1AKR1A1CHRM3HTR2AHTR2C | |
| SCHEMBL139440 | 0.81 | — | — | |
| SCHEMBL13477875 | 0.81 | CA2 (0.61) | CA2MAPK1CHRM1AKR1A1CHRM3 | |
| SCHEMBL5393212 | 0.80 | CPB2 (0.41) | CA2MAPK1CHRM1AKR1A1CHRM3 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20220340893-A1 | BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES | NUEVOLUTION A/S (DK) | 2022-10-27 | — | — | US | disclosed |
| CN-107667107-B | Ethynyl derivatives | 豪夫迈·罗氏有限公司 | 2021-05-18 | — | — | CN | disclosed |
| WO-2006011647-A1 | POLYMERIZABLE COMPOSITION, OPTICALLY ANISOTROPIC LAYER AND METHOD FOR MANUFACTURING THEREOF, OPTICAL COMPENSATORY ELEMENT, LIQUID CRYSTAL DISPLAY AND LIQUID CRYSTAL PROJECTOR | FUJIFILM CORPORATION (JP) | 2006-02-02 | — | — | WO | disclosed |