Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA2 | P00918 | 7/20 | 0.48 |
| ▸ | CA1 | P00915 | 4/20 | 0.48 |
| ▸ | CTSK | P43235 | 2/20 | 0.46 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.44 |
| ▸ | HDAC1 | Q13547 | 2/20 | 0.40 |
| ▸ | HDAC2 | Q92769 | 2/20 | 0.40 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.40 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.40 |
| ▸ | AKR1A1 | P14550 | 1/20 | 0.40 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.40 |
| ▸ | HTR2A | P28223 | 1/20 | 0.40 |
| ▸ | HTR2C | P28335 | 1/20 | 0.40 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.40 |
| ▸ | HRH1 | P35367 | 1/20 | 0.40 |
| ▸ | DRD3 | P35462 | 1/20 | 0.40 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.40 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.39 |
| ▸ | TSHR | P16473 | 3/20 | 0.39 |
| ▸ | NFKB1 | P19838 | 2/20 | 0.39 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL18597048 | 0.92 | CA2 (0.44) | CA2CA1CTSKMAPK1HDAC1 | |
| SCHEMBL29459306 | 0.89 | CA2 (0.53) | CA2CA1MAPK1SLC1A2SLC1A1 | |
| SCHEMBL20512291 | 0.89 | CA2 (0.53) | CA2CA1MAPK1SLC1A2SLC1A1 | |
| SCHEMBL5355144 | 0.86 | CA2 (0.50) | CA2CA1MAPK1SLC1A2SLC1A1 | |
| SCHEMBL297378 | 0.86 | CA2 (0.50) | CA2CA1MAPK1SLC1A2SLC1A1 | |
| SCHEMBL17514315 | 0.86 | CA2 (0.50) | CA2CA1MAPK1SLC1A2SLC1A1 | |
| SCHEMBL2118557 | 0.86 | CA2 (0.50) | CA2CA1MAPK1SLC1A2SLC1A1 | |
| SCHEMBL28184365 | 0.82 | CTSK (0.47) | CA2CA1CTSKMAPK1TDP1 | |
| SCHEMBL24711085 | 0.81 | CA2 (0.46) | CA2CA1MAPK1PRKCAPRKCD | |
| SCHEMBL1274961 | 0.81 | CA2 (0.59) | CA2CA1MAPK1NPSR1ALDH1A1 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2023158976-A1 | BORON-CONTAINING CYCLIC EMISSIVE COMPOUNDS AND COLOR CONVERSION FILM CONTAINING THE SAME | NITTO DENKO CORPORATION (JP) | 2023-08-24 | — | — | WO | disclosed |