Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA2 | P00918 | 1/20 | 0.46 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.42 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.41 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.41 |
| ▸ | GAA | P10253 | 1/20 | 0.41 |
| ▸ | MAPT | P10636 | 1/20 | 0.41 |
| ▸ | BACE1 | P56817 | 1/20 | 0.41 |
| ▸ | CYP4F2 | P78329 | 4/20 | 0.38 |
| ▸ | CYP4A11 | Q02928 | 4/20 | 0.38 |
| ▸ | RXRA | P19793 | 1/20 | 0.38 |
| ▸ | RXRB | P28702 | 1/20 | 0.38 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.37 |
| ▸ | PTGS2 | P35354 | 3/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.34 |
| ▸ | GPR84 | Q9NQS5 | 2/20 | 0.34 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.33 |
| ▸ | TP53 | P04637 | 1/20 | 0.33 |
| ▸ | HSPA5 | P11021 | 1/20 | 0.33 |
| ▸ | NPC1 | O15118 | 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 | |
|---|---|---|---|---|
| SCHEMBL22169009 | 0.89 | CA2 (0.38) | CA2TDP1KDM4EALDH1A1ALOX5 | |
| SCHEMBL63871 | 0.85 | TDP1 (0.53) | CA2TDP1KDM4EALDH1A1ALOX5 | |
| SCHEMBL29331586 | 0.85 | CA2 (0.40) | CA2TDP1KDM4EALDH1A1ALOX5 | |
| SCHEMBL17277559 | 0.83 | MAOA (0.41) | CA2PTGS2CYP3A4GPR84TAAR1 | |
| SCHEMBL9490042 | 0.82 | PTGS2 (0.42) | RXRARXRBTRPA1PTGS2CYP3A4 | |
| SCHEMBL1247008 | 0.80 | CYP4F2 (0.55) | TDP1KDM4EALDH1A1ALOX5GAA | |
| SCHEMBL28806252 | 0.78 | PTGS2 (0.48) | CA2TDP1ALDH1A1GAAMAPT | |
| SCHEMBL439074 | 0.78 | PTGS2 (0.48) | CA2TDP1ALDH1A1GAAMAPT | |
| SCHEMBL6418650 | 0.78 | PGK1 (0.44) | CA2TDP1KDM4EALDH1A1ALOX5 | |
| SCHEMBL81550 | 0.78 | CA2 (0.59) | CA2TDP1KDM4EALDH1A1ALOX5 |
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 |
|---|---|---|---|---|---|---|---|
| EP-3094318-B1 | NOVEL FUNCTIONALIZED 1,3-BENZENE DIOLS AND THEIR METHOD OF USE FOR THE TREATMENT OF HEPATIC ENCEPHALOPATHY | KANNALIFE SCIENCES INC (US) | 2020-02-19 | — | — | EP | disclosed |