Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HDAC1 | Q13547 | 1/20 | 0.44 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.44 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.36 |
| ▸ | MAPT | P10636 | 3/20 | 0.35 |
| ▸ | ADRA2A | P08913 | 2/20 | 0.34 |
| ▸ | ADRA2B | P18089 | 2/20 | 0.34 |
| ▸ | ADRA2C | P18825 | 2/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.33 |
| ▸ | NPC1 | O15118 | 1/20 | 0.33 |
| ▸ | CCR9 | P51686 | 1/20 | 0.32 |
| ▸ | PRKAB2 | O43741 | 1/20 | 0.32 |
| ▸ | PRKAG1 | P54619 | 1/20 | 0.32 |
| ▸ | PRKAA2 | P54646 | 1/20 | 0.32 |
| ▸ | PRKAA1 | Q13131 | 1/20 | 0.32 |
| ▸ | PRKAG3 | Q9UGI9 | 1/20 | 0.32 |
| ▸ | PRKAG2 | Q9UGJ0 | 1/20 | 0.32 |
| ▸ | PRKAB1 | Q9Y478 | 1/20 | 0.32 |
| ▸ | KCNQ3 | O43525 | 1/20 | 0.32 |
| ▸ | KCNQ2 | O43526 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL2659565 | 0.81 | HDAC1 (0.52) | HDAC1HDAC6KDM4EKMT2AMAPT | |
| SCHEMBL123712 | 0.78 | HDAC1 (0.52) | HDAC1HDAC6KDM4EKMT2AMAPT | |
| SCHEMBL7713081 | 0.78 | DGAT1 (0.45) | HDAC1HDAC6KDM4EKMT2AMAPT | |
| SCHEMBL10659687 | 0.74 | HDAC1 (0.53) | HDAC1HDAC6KDM4EKMT2AMAPT | |
| SCHEMBL9970923 | 0.74 | ALDH1A1 (0.41) | HDAC1HDAC6KMT2AMAPTALDH1A1 | |
| SCHEMBL8192122 | 0.74 | HDAC1 (0.52) | HDAC1HDAC6KDM4EKMT2AMAPT | |
| SCHEMBL11625027 | 0.72 | HDAC1 (0.50) | HDAC1HDAC6KDM4EKMT2AMAPT | |
| SCHEMBL17033581 | 0.72 | HDAC1 (0.50) | HDAC1HDAC6KDM4EKMT2AMAPT | |
| SCHEMBL31290288 | 0.70 | HDAC1 (0.62) | HDAC1HDAC6KDM4EKMT2AMAPT | |
| SCHEMBL575041 | 0.70 | HDAC1 (0.62) | HDAC1HDAC6KDM4EKMT2AMAPT |
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-2019194556-A1 | NOVEL 6-HETEROARYLAMINO-2,4,5-TRIMETHYLPYRIDIN-3-OL COMPOUND, OR PHARMACEUTICAL COMPOSITION FOR PREVENTING OR TREATING INFLAMMATORY BOWEL DISEASES AND AUTOIMMUNE DISEASES COMPRISING SAME | 영남대학교 산학협력단 | 2019-10-10 | — | — | WO | disclosed |