Predicted protein targets (top 7)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TP53 | P04637 | 2/20 | 0.37 |
| ▸ | ENPP1 | P22413 | 2/20 | 0.36 |
| ▸ | ENPP3 | O14638 | 1/20 | 0.36 |
| ▸ | S1PR3 | Q99500 | 9/20 | 0.36 |
| ▸ | RORC | P51449 | 3/20 | 0.35 |
| ▸ | NR3C2 | P08235 | 1/20 | 0.35 |
| ▸ | BRD4 | O60885 | 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 | |
|---|---|---|---|---|
| SCHEMBL27122479 | 1.00 | TP53 (0.37) | TP53ENPP1ENPP3S1PR3RORC | |
| SCHEMBL27117840 | 0.89 | ENPP1 (0.46) | TP53ENPP1ENPP3NR3C2 | |
| SCHEMBL27121994 | 0.88 | ENPP1 (0.39) | ENPP1ENPP3S1PR3NR3C2 | |
| SCHEMBL27115424 | 0.86 | KIF11 (0.38) | ENPP1ENPP3NR3C2BRD4 | |
| SCHEMBL26907842 | 0.85 | S1PR3 (0.35) | TP53S1PR3BRD4 | |
| SCHEMBL29769981 | 0.84 | NR3C2 (0.40) | NR3C2 | |
| SCHEMBL27115414 | 0.84 | NR3C2 (0.40) | NR3C2 | |
| SCHEMBL29769992 | 0.82 | MAOB (0.36) | ENPP1S1PR3NR3C2 | |
| SCHEMBL27117654 | 0.82 | MAOB (0.36) | ENPP1S1PR3NR3C2 | |
| SCHEMBL27120199 | 0.81 | KCNMA1 (0.42) | ENPP1NR3C2 |
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 |