Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ENPP1 | P22413 | 5/20 | 0.38 |
| ▸ | CA12 | O43570 | 1/20 | 0.37 |
| ▸ | CA1 | P00915 | 1/20 | 0.37 |
| ▸ | CA2 | P00918 | 1/20 | 0.37 |
| ▸ | CA5A | P35218 | 1/20 | 0.37 |
| ▸ | CA9 | Q16790 | 1/20 | 0.37 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.37 |
| ▸ | CHRM4 | P08173 | 1/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.36 |
| ▸ | ENPP3 | O14638 | 1/20 | 0.36 |
| ▸ | MAOB | P27338 | 1/20 | 0.36 |
| ▸ | KIF11 | P52732 | 1/20 | 0.34 |
| ▸ | NR3C2 | P08235 | 1/20 | 0.34 |
| ▸ | NR1I2 | O75469 | 1/20 | 0.34 |
| ▸ | LMNA | P02545 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL27128546 | 1.00 | ENPP1 (0.38) | ENPP1CA12CA1CA2CA5A | |
| SCHEMBL27117674 | 0.95 | ENPP1 (0.41) | ENPP1CA12CA1CA2CA5A | |
| SCHEMBL27124539 | 0.92 | ENPP1 (0.37) | ENPP1CA12CA1CA2CA5A | |
| SCHEMBL29769987 | 0.92 | ENPP1 (0.37) | ENPP1CA12CA1CA2CA5A | |
| SCHEMBL27118760 | 0.88 | ENPP1 (0.41) | ENPP1CA12CA1CA2CA5A | |
| SCHEMBL29769982 | 0.88 | ENPP1 (0.41) | ENPP1CA12CA1CA2CA5A | |
| SCHEMBL27117840 | 0.86 | ENPP1 (0.46) | ENPP1CA12CA1CA2CA5A | |
| SCHEMBL26907931 | 0.84 | CHRM4 (0.37) | CHRM4SMN1; SMN2MAOBLMNA | |
| SCHEMBL29769981 | 0.82 | NR3C2 (0.40) | CA12CA1CA2CA9CA14 | |
| SCHEMBL27115414 | 0.82 | NR3C2 (0.40) | CA12CA1CA2CA9CA14 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2022164249-A1 | NOVEL BENZOTRIAZOLE DERIVATIVE HAVING INHIBITORY ACTIVITY AGAINST ECTONUCLEOTIDE PYROPHOSPHATASE-PHOSPHODIESTERASE, AND USE THEREOF | 주식회사 티씨노바이오사이언스 | 2022-08-04 | — | — | WO | claimed |
| WO-2022164249-A1 | NOVEL BENZOTRIAZOLE DERIVATIVE HAVING INHIBITORY ACTIVITY AGAINST ECTONUCLEOTIDE PYROPHOSPHATASE-PHOSPHODIESTERASE, AND USE THEREOF | 주식회사 티씨노바이오사이언스 | 2022-08-04 | — | — | WO | disclosed |