Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAOB | P27338 | 3/20 | 0.36 |
| ▸ | KIF11 | P52732 | 1/20 | 0.36 |
| ▸ | NR3C2 | P08235 | 1/20 | 0.36 |
| ▸ | CA2 | P00918 | 5/20 | 0.34 |
| ▸ | CA1 | P00915 | 4/20 | 0.34 |
| ▸ | CA12 | O43570 | 3/20 | 0.34 |
| ▸ | CA9 | Q16790 | 2/20 | 0.34 |
| ▸ | ESR1 | P03372 | 1/20 | 0.33 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.33 |
| ▸ | CA7 | P43166 | 2/20 | 0.33 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.33 |
| ▸ | PIM1 | P11309 | 1/20 | 0.32 |
| ▸ | KCNMA1 | Q12791 | 2/20 | 0.32 |
| ▸ | S1PR3 | Q99500 | 1/20 | 0.31 |
| ▸ | CHRM4 | P08173 | 1/20 | 0.31 |
| ▸ | MAP2K1 | Q02750 | 1/20 | 0.31 |
| ▸ | PARP1 | P09874 | 1/20 | 0.31 |
| ▸ | ENPP1 | P22413 | 1/20 | 0.30 |
| ▸ | CA13 | Q8N1Q1 | 1/20 | 0.30 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL27117654 | 1.00 | MAOB (0.36) | MAOBKIF11NR3C2CA2CA1 | |
| SCHEMBL27115414 | 0.87 | NR3C2 (0.40) | KIF11NR3C2CA2CA1CA12 | |
| SCHEMBL29769981 | 0.87 | NR3C2 (0.40) | KIF11NR3C2CA2CA1CA12 | |
| SCHEMBL27120199 | 0.86 | KCNMA1 (0.42) | KIF11NR3C2CA2CA1CA12 | |
| SCHEMBL27117840 | 0.85 | ENPP1 (0.46) | KIF11NR3C2CA2CA1CA12 | |
| SCHEMBL27121994 | 0.83 | ENPP1 (0.39) | KIF11NR3C2CA2CA1CA12 | |
| SCHEMBL27115424 | 0.83 | KIF11 (0.38) | KIF11NR3C2CA2CA1CA12 | |
| SCHEMBL26907908 | 0.83 | SMO (0.33) | MAOBESR1ESR2PIM1KCNMA1 | |
| SCHEMBL29769974 | 0.82 | TP53 (0.37) | NR3C2S1PR3ENPP1 | |
| SCHEMBL27122479 | 0.82 | TP53 (0.37) | NR3C2S1PR3ENPP1 |
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 |