Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.45 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.45 |
| ▸ | HSD11B1 | P28845 | 1/20 | 0.40 |
| ▸ | TRPM5 | Q9NZQ8 | 1/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.36 |
| ▸ | NPC1 | O15118 | 1/20 | 0.36 |
| ▸ | RAB9A | P51151 | 1/20 | 0.36 |
| ▸ | HKDC1 | Q2TB90 | 1/20 | 0.36 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.36 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.36 |
| ▸ | NAMPT | P43490 | 1/20 | 0.35 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.35 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.35 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.35 |
| ▸ | DYRK1A | Q13627 | 1/20 | 0.34 |
| ▸ | PTK6 | Q13882 | 2/20 | 0.34 |
| ▸ | PIK3CD | O00329 | 1/20 | 0.33 |
| ▸ | RIPK2 | O43353 | 4/20 | 0.33 |
| ▸ | RIPK3 | Q9Y572 | 2/20 | 0.33 |
| ▸ | EGFR | P00533 | 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 | |
|---|---|---|---|---|
| SCHEMBL10748587 | 0.84 | ALDH1A1 (0.48) | ALDH1A1HSD17B10HSD11B1TRPM5KDM4E | |
| SCHEMBL4054023 | 0.81 | ALDH1A1 (0.45) | ALDH1A1HSD17B10HSD11B1TRPM5KDM4E | |
| SCHEMBL8471890 | 0.78 | ALDH1A1 (0.52) | ALDH1A1HSD17B10HSD11B1KDM4ENPC1 | |
| SCHEMBL21536796 | 0.77 | KCNH2 (0.46) | ALDH1A1HSD17B10HSD11B1TRPM5KDM4E | |
| SCHEMBL29354147 | 0.74 | ALDH1A1 (0.50) | ALDH1A1HSD17B10HSD11B1TRPM5KDM4E | |
| SCHEMBL584449 | 0.74 | ALDH1A1 (0.50) | ALDH1A1HSD17B10HSD11B1TRPM5KDM4E | |
| SCHEMBL28048502 | 0.73 | ALDH1A1 (0.54) | ALDH1A1HSD17B10HSD11B1KDM4ENPC1 | |
| Hydrazine SCHEMBL27534771 | 0.71 | HSD11B1 (0.48) | ALDH1A1HSD17B10HSD11B1TRPM5NPC1 | |
| Ethane SCHEMBL27952962 | 0.71 | HSD11B1 (0.48) | ALDH1A1HSD17B10HSD11B1TRPM5KDM4E | |
| SCHEMBL15810376 | 0.69 | ALDH1A1 (0.50) | ALDH1A1HSD17B10HSD11B1TRPM5KDM4E |
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-2011131975-A1 | MICROSOMAL PROSTAGLANDIN E SYNTASE-1 INHIBITORS | Convergence Pharmaceuticals Limited (GB) | 2011-10-27 | — | — | WO | disclosed |