Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.59 |
| ▸ | LMNA | P02545 | 1/20 | 0.51 |
| ▸ | HDAC8 | Q9BY41 | 5/20 | 0.50 |
| ▸ | TRIM24 | O15164 | 1/20 | 0.50 |
| ▸ | TYR | P14679 | 1/20 | 0.50 |
| ▸ | TRIM33 | Q9UPN9 | 1/20 | 0.50 |
| ▸ | ERN1 | O75460 | 1/20 | 0.46 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.46 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.46 |
| ▸ | RAB9A | P51151 | 1/20 | 0.46 |
| ▸ | MAPT | P10636 | 2/20 | 0.46 |
| ▸ | MEN1 | O00255 | 1/20 | 0.46 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.46 |
| ▸ | HPGD | P15428 | 2/20 | 0.45 |
| ▸ | POLB | P06746 | 1/20 | 0.44 |
| ▸ | PTGDR2 | Q9Y5Y4 | 1/20 | 0.44 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.43 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.43 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.43 |
| ▸ | HTT | P42858 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL7920248 | 0.91 | ALDH1A1 (0.55) | ALDH1A1HDAC8TRIM24TYRTRIM33 | |
| SCHEMBL2556331 | 0.87 | ALDH1A1 (0.58) | ALDH1A1HDAC8TRIM24TYRTRIM33 | |
| SCHEMBL29707984 | 0.85 | ALDH1A1 (0.63) | ALDH1A1LMNAHDAC8TRIM24TYR | |
| SCHEMBL7840891 | 0.85 | ALDH1A1 (0.63) | ALDH1A1LMNAHDAC8TRIM24TYR | |
| SCHEMBL2554393 | 0.85 | ALDH1A1 (0.55) | ALDH1A1HDAC8TRIM24TYRTRIM33 | |
| SCHEMBL8447028 | 0.85 | ALDH1A1 (0.71) | ALDH1A1LMNAHDAC8TRIM24TYR | |
| SCHEMBL21601619 | 0.84 | ALDH1A1 (0.54) | ALDH1A1LMNAHDAC8TRIM24TYR | |
| SCHEMBL5882846 | 0.84 | ALDH1A1 (0.65) | ALDH1A1LMNAHDAC8TRIM24TYR | |
| SCHEMBL29955065 | 0.83 | ALDH1A1 (0.52) | ALDH1A1HDAC8TRIM24TYRTRIM33 | |
| SCHEMBL11296160 | 0.82 | ALDH1A1 (0.67) | ALDH1A1LMNAHDAC8TRIM24TYR |
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 |
|---|---|---|---|---|---|---|---|
| US-6017939-A | 2,1,3-benzothia(OXA)diazole derivatives having an endothelin receptor antagonistic effect | MERCK PATENT GESELLSCHAFT (DE) | 2000-01-25 | — | — | US | disclosed |