Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | EPAS1 | Q99814 | 9/20 | 0.46 |
| ▸ | MAPT | P10636 | 2/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.41 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.41 |
| ▸ | ACHE | P22303 | 2/20 | 0.41 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.40 |
| ▸ | SIRT5 | Q9NXA8 | 2/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.39 |
| ▸ | BCHE | P06276 | 1/20 | 0.38 |
| ▸ | CSNK2A2 | P19784 | 2/20 | 0.36 |
| ▸ | CSNK2B | P67870 | 2/20 | 0.36 |
| ▸ | CSNK2A1 | P68400 | 2/20 | 0.36 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.36 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.36 |
| ▸ | OGFRL1 | Q5TC84 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL13202776 | 0.82 | EPAS1 (0.59) | EPAS1MAPTKDM4EALDH1A1HSD17B10 | |
| SCHEMBL2977289 | 0.80 | EPAS1 (0.53) | EPAS1MAPTKDM4EALDH1A1HSD17B10 | |
| SCHEMBL13202796 | 0.79 | EPAS1 (0.56) | EPAS1MAPTKDM4EALDH1A1HSD17B10 | |
| SCHEMBL7975860 | 0.78 | EPAS1 (0.54) | EPAS1MAPTKDM4EALDH1A1HSD17B10 | |
| SCHEMBL6108893 | 0.77 | EPAS1 (0.50) | EPAS1MAPTKDM4EALDH1A1HSD17B10 | |
| SCHEMBL2974074 | 0.76 | HTR1A (0.51) | EPAS1MAPTALDH1A1KMT2A | |
| SCHEMBL2977230 | 0.75 | CYP2C19 (0.43) | EPAS1MAPTALDH1A1HSD17B10ACHE | |
| SCHEMBL2976797 | 0.74 | EPAS1 (0.42) | EPAS1MAPTACHE | |
| SCHEMBL2976803 | 0.74 | EPAS1 (0.42) | EPAS1MAPTACHE | |
| SCHEMBL2979186 | 0.74 | KCNA3 (0.46) | EPAS1MAPTALDH1A1KMT2A |
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-1218372-B1 | NOVEL HETEROCYCLIC COMPOUNDS USEFUL AS REVERSIBLE INHIBITORS OF CYSTEINE PROTEASES | BOEHRINGER INGELHEIM PHARMA (US) | 2003-07-02 | — | — | EP | disclosed |