Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.41 |
| ▸ | LMNA | P02545 | 3/20 | 0.40 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.39 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.36 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.36 |
| ▸ | HSD17B3 | P37058 | 1/20 | 0.36 |
| ▸ | NAMPT | P43490 | 2/20 | 0.35 |
| ▸ | TSHR | P16473 | 2/20 | 0.35 |
| ▸ | TP53 | P04637 | 1/20 | 0.35 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.35 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.35 |
| ▸ | BCHE | P06276 | 1/20 | 0.35 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.34 |
| ▸ | CHRM4 | P08173 | 1/20 | 0.34 |
| ▸ | CHRM5 | P08912 | 1/20 | 0.34 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.34 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.34 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.34 |
| ▸ | GAA | P10253 | 1/20 | 0.34 |
| ▸ | KDM4E | B2RXH2 | 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 | |
|---|---|---|---|---|
| SCHEMBL324190 | 0.92 | BCHE (0.44) | ALDH1A1LMNAHDAC3NAMPTTSHR | |
| SCHEMBL15056964 | 0.90 | HDAC3 (0.41) | ALDH1A1LMNAHDAC3HSD17B3NAMPT | |
| SCHEMBL29493251 | 0.90 | HDAC3 (0.41) | ALDH1A1LMNAHDAC3HSD17B3NAMPT | |
| SCHEMBL323769 | 0.88 | TSHR (0.42) | ALDH1A1HDAC3HSD17B3NAMPTTSHR | |
| SCHEMBL15056529 | 0.85 | P2RX4 (0.39) | LMNAHDAC3HSD17B3NAMPTMAPK1 | |
| SCHEMBL15056629 | 0.85 | HDAC3 (0.39) | ALDH1A1HDAC3HSD17B3P2RX4 | |
| SCHEMBL15056675 | 0.84 | HDAC3 (0.36) | ALDH1A1HDAC3HSD17B3NAMPTMAPK1 | |
| SCHEMBL323621 | 0.84 | P2RX4 (0.44) | ALDH1A1LMNAHDAC3ADORA3NAMPT | |
| SCHEMBL15056783 | 0.83 | MEN1 (0.41) | HDAC3HSD17B3 | |
| SCHEMBL15056981 | 0.82 | HDAC3 (0.35) | HDAC3HSD17B3NAMPTP2RX4 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-103787969-B | A kind of (1S)-1-phenyl-3,4-dihydro-2(1H) preparation method of-isoquinolinecarboxylic acid ester | 上海京新生物医药有限公司 | 2016-07-06 | — | — | CN | disclosed |
| EP-1687299-A1 | HETEROCYCLIC COMPOUNDS AS MODULATORS OF PEROXISOME PROLIFERATOR ACTIVATED RECEPTORS, USEFUL FOR THE TREAMTMENT AND/OR PREVENTION OF DISORDERS MODULATED BY A PPAR | ELI LILLY AND COMPANY (US) | 2006-08-09 | — | — | EP | disclosed |
| WO-2005051945-A1 | HETEROCYCLIC COMPOUNDS AS MODULATORS OF PEROXISOME PROLIFERATOR ACTIVATED RECEPTORS, USEFUL FOR THE TREATMENT AND/OR PREVENTION OF DISORDERS MODULATED BY A PPAR | ELI LILLY AND COMPANY (US) | 2005-06-09 | — | — | WO | disclosed |