Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NR3C2 | P08235 | 1/20 | 0.40 |
| ▸ | KCNMA1 | Q12791 | 2/20 | 0.38 |
| ▸ | KIF11 | P52732 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.35 |
| ▸ | MEN1 | O00255 | 2/20 | 0.35 |
| ▸ | MAPT | P10636 | 2/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.35 |
| ▸ | THRB | P10828 | 1/20 | 0.35 |
| ▸ | CA2 | P00918 | 3/20 | 0.34 |
| ▸ | NAMPT | P43490 | 1/20 | 0.34 |
| ▸ | CA12 | O43570 | 2/20 | 0.34 |
| ▸ | CA1 | P00915 | 2/20 | 0.34 |
| ▸ | CA9 | Q16790 | 1/20 | 0.34 |
| ▸ | POLB | P06746 | 1/20 | 0.34 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.33 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.33 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.33 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.33 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.33 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL27115414 | 1.00 | NR3C2 (0.40) | NR3C2KCNMA1KIF11ALDH1A1MEN1 | |
| SCHEMBL29769992 | 0.87 | MAOB (0.36) | NR3C2KCNMA1KIF11CA2CA12 | |
| SCHEMBL27117654 | 0.87 | MAOB (0.36) | NR3C2KCNMA1KIF11CA2CA12 | |
| SCHEMBL27117840 | 0.87 | ENPP1 (0.46) | NR3C2KIF11ALDH1A1MEN1MAPT | |
| SCHEMBL27120199 | 0.86 | KCNMA1 (0.42) | NR3C2KCNMA1KIF11ALDH1A1MEN1 | |
| SCHEMBL27121994 | 0.85 | ENPP1 (0.39) | NR3C2KIF11ALDH1A1MAPTKMT2A | |
| SCHEMBL29769974 | 0.84 | TP53 (0.37) | NR3C2 | |
| SCHEMBL27122479 | 0.84 | TP53 (0.37) | NR3C2 | |
| SCHEMBL27117674 | 0.83 | ENPP1 (0.41) | NR3C2KIF11MAPTCA2CA12 | |
| SCHEMBL29769987 | 0.83 | ENPP1 (0.37) | NR3C2KIF11ALDH1A1MAPTCA2 |
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 |