Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADAMTS5 | Q9UNA0 | 5/20 | 0.43 |
| ▸ | HRH3 | Q9Y5N1 | 3/20 | 0.42 |
| ▸ | MMP2 | P08253 | 1/20 | 0.41 |
| ▸ | GSK3B | P49841 | 2/20 | 0.38 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.37 |
| ▸ | MAPT | P10636 | 2/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.37 |
| ▸ | PKM | P14618 | 1/20 | 0.37 |
| ▸ | SLC18A3 | Q16572 | 1/20 | 0.35 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.34 |
| ▸ | HSD11B1 | P28845 | 1/20 | 0.34 |
| ▸ | CCR2 | P41597 | 1/20 | 0.33 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.33 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.33 |
| ▸ | RECQL | P46063 | 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 | |
|---|---|---|---|---|
| SCHEMBL17897284 | 1.00 | ADAMTS5 (0.43) | ADAMTS5HRH3MMP2GSK3BMAPK1 | |
| SCHEMBL17897270 | 1.00 | ADAMTS5 (0.43) | ADAMTS5HRH3MMP2GSK3BMAPK1 | |
| SCHEMBL19003704 | 0.85 | MAPT (0.43) | HRH3GSK3BMAPK1MAPTKDM4E | |
| SCHEMBL20008993 | 0.83 | MAPK1 (0.53) | ADAMTS5HRH3GSK3BMAPK1MAPT | |
| SCHEMBL20009011 | 0.83 | MAPK1 (0.53) | ADAMTS5HRH3GSK3BMAPK1MAPT | |
| SCHEMBL20009034 | 0.83 | MAPK1 (0.53) | ADAMTS5HRH3GSK3BMAPK1MAPT | |
| SCHEMBL13899013 | 0.81 | KDM4E (0.44) | HRH3GSK3BMAPK1MAPTKDM4E | |
| SCHEMBL23102230 | 0.79 | ROCK2 (0.39) | ADAMTS5MMP2GSK3BMAPK1MAPT | |
| SCHEMBL15858008 | 0.78 | HRH3 (0.48) | ADAMTS5HRH3MMP2GSK3BMAPK1 | |
| SCHEMBL15858036 | 0.78 | HRH3 (0.48) | ADAMTS5HRH3MMP2GSK3BMAPK1 |
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-2938344-B1 | PIPERAZINE-SUBSTITUTED [1,2,4]TRIAZOLO[1,5-C]QUINAZOLIN-5-AMINE COMPOUNDS WITH A2A ANTAGONIST PROPERTIES | MERCK SHARP & DOHME (US) | 2017-06-21 | — | — | EP | disclosed |