Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HDAC1 | Q13547 | 1/20 | 0.36 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.36 |
| ▸ | HTR2A | P28223 | 3/20 | 0.36 |
| ▸ | HTR2C | P28335 | 3/20 | 0.36 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.36 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.36 |
| ▸ | HTR2B | P41595 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.35 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.35 |
| ▸ | MAOB | P27338 | 1/20 | 0.33 |
| ▸ | HCRTR1 | O43613 | 1/20 | 0.32 |
| ▸ | HCRTR2 | O43614 | 1/20 | 0.32 |
| ▸ | BACE1 | P56817 | 1/20 | 0.31 |
| ▸ | BACE2 | Q9Y5Z0 | 1/20 | 0.31 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.31 |
| ▸ | HSP90B1 | P14625 | 1/20 | 0.31 |
| ▸ | CDK9 | P50750 | 1/20 | 0.31 |
| ▸ | MTNR1A | P48039 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL22719911 | 0.91 | HTR2A (0.37) | HDAC1HDAC6HTR2AHTR2CCYP1A2 | |
| SCHEMBL22738237 | 0.88 | PDE4B (0.36) | HDAC1HDAC6HTR2AHTR2CCYP1A2 | |
| SCHEMBL22719960 | 0.87 | PPARG (0.38) | ALDH1A1MAPK1KMT2AMAOBPPARG | |
| SCHEMBL22738235 | 0.85 | ALDH1A1 (0.37) | HDAC1HDAC6ALDH1A1MAPK1KMT2A | |
| SCHEMBL22738287 | 0.85 | MTNR1A (0.41) | HDAC1HDAC6HTR2CALDH1A1MAPK1 | |
| SCHEMBL22738232 | 0.85 | ALDH1A1 (0.35) | HDAC1HDAC6ALDH1A1MAPK1KMT2A | |
| SCHEMBL22719930 | 0.78 | PPARG (0.39) | HTR2AHTR2CMAOBPPARG | |
| SCHEMBL1503147 | 0.78 | ALDH1A1 (0.39) | ALDH1A1MAPK1KMT2AMAOBPPARG | |
| SCHEMBL22738309 | 0.77 | EGLN1 (0.44) | HDAC1HDAC6HTR2CHCRTR1HCRTR2 | |
| SCHEMBL22719901 | 0.76 | EGLN1 (0.35) | HDAC1HDAC6ALDH1A1MAPK1KMT2A |
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-2020237374-A1 | PICOLINIC ACID DERIVATIVES AND USE THEREOF FOR TREATING DISEASES ASSOCIATED WITH ELEVATED CHOLESTEROL | MONTREAL HEART INSTITUTE (CA) | 2020-12-03 | — | — | WO | disclosed |
| WO-2020237374-A1 | PICOLINIC ACID DERIVATIVES AND USE THEREOF FOR TREATING DISEASES ASSOCIATED WITH ELEVATED CHOLESTEROL | MONTREAL HEART INSTITUTE (CA) | 2020-12-03 | — | — | WO | disclosed |