Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADORA3 | P0DMS8 | 3/20 | 0.43 |
| ▸ | ADORA1 | P30542 | 3/20 | 0.43 |
| ▸ | LRRK2 | Q5S007 | 4/20 | 0.43 |
| ▸ | HCAR3 | P49019 | 2/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.40 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.40 |
| ▸ | MAPK8 | P45983 | 1/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.39 |
| ▸ | CHRM4 | P08173 | 1/20 | 0.39 |
| ▸ | GAA | P10253 | 2/20 | 0.39 |
| ▸ | TSHR | P16473 | 1/20 | 0.38 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.38 |
| ▸ | CSNK2A2 | P19784 | 1/20 | 0.37 |
| ▸ | CSNK2B | P67870 | 1/20 | 0.37 |
| ▸ | CSNK2A1 | P68400 | 1/20 | 0.37 |
| ▸ | NPC1 | O15118 | 1/20 | 0.37 |
| ▸ | RAB9A | P51151 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL29529264 | 0.81 | HCAR3 (0.44) | ADORA3ADORA1LRRK2HCAR3KDM4E | |
| SCHEMBL17206943 | 0.76 | KDM4E (0.50) | ADORA3ADORA1LRRK2KDM4EALDH1A1 | |
| SCHEMBL1179793 | 0.75 | KDM4E (0.40) | HCAR3KDM4EALDH1A1L3MBTL1KMT2A | |
| SCHEMBL27941979 | 0.73 | HCAR3 (0.43) | LRRK2HCAR3ALDH1A1MAPK8GAA | |
| SCHEMBL24375045 | 0.71 | LRRK2 (0.46) | LRRK2KDM4EALDH1A1KMT2ACHRM4 | |
| SCHEMBL2344874 | 0.70 | MAPK8 (0.40) | ADORA3ADORA1HCAR3KDM4EALDH1A1 | |
| SCHEMBL15689013 | 0.70 | ALDH1A1 (0.56) | HCAR3KDM4EALDH1A1L3MBTL1MAPK8 | |
| SCHEMBL15635290 | 0.69 | SYK (0.35) | KDM4EALDH1A1L3MBTL1 | |
| Nitrous Acid SCHEMBL28284334 | 0.69 | MAPK8 (0.47) | ADORA3ADORA1LRRK2HCAR3KDM4E | |
| SCHEMBL13190330 | 0.68 | ALOX15 (0.38) | ADORA3ADORA1LRRK2KDM4EALDH1A1 |
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-2361913-A1 | Anti-infective agents | Abbott Laboratories (US) | 2011-08-31 | — | — | EP | disclosed |