Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.38 |
| ▸ | SIGMAR1 | Q99720 | 2/20 | 0.36 |
| ▸ | VCP | P55072 | 1/20 | 0.34 |
| ▸ | MC4R | P32245 | 1/20 | 0.34 |
| ▸ | KCNH2 | Q12809 | 3/20 | 0.33 |
| ▸ | SLC6A3 | Q01959 | 2/20 | 0.33 |
| ▸ | MEN1 | O00255 | 1/20 | 0.33 |
| ▸ | POLB | P06746 | 1/20 | 0.33 |
| ▸ | GAA | P10253 | 1/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.33 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.33 |
| ▸ | MAPT | P10636 | 2/20 | 0.33 |
| ▸ | RECQL | P46063 | 1/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.33 |
| ▸ | PKM | P14618 | 1/20 | 0.33 |
| ▸ | DRD2 | P14416 | 1/20 | 0.32 |
| ▸ | DRD3 | P35462 | 1/20 | 0.32 |
| ▸ | TMEM97 | Q5BJF2 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL15858967 | 1.00 | HRH3 (0.38) | HRH3SIGMAR1VCPMC4RKCNH2 | |
| SCHEMBL20009020 | 0.81 | DRD3 (0.39) | HRH3SIGMAR1SLC6A3SLC6A4ALDH1A1 | |
| SCHEMBL15858042 | 0.79 | HRH3 (0.44) | HRH3SIGMAR1GAAMAPTKDM4E | |
| SCHEMBL17897284 | 0.78 | ADAMTS5 (0.43) | HRH3KCNH2MAPTRECQLKDM4E | |
| SCHEMBL17897270 | 0.78 | ADAMTS5 (0.43) | HRH3KCNH2MAPTRECQLKDM4E | |
| SCHEMBL19003576 | 0.78 | ADAMTS5 (0.43) | HRH3KCNH2MAPTRECQLKDM4E | |
| SCHEMBL21361434 | 0.77 | ROCK2 (0.35) | VCPALDH1A1 | |
| SCHEMBL24755657 | 0.76 | RXRA (0.36) | KCNH2POLBGAAALDH1A1DRD2 | |
| SCHEMBL25004304 | 0.72 | HRH3 (0.44) | HRH3MC4RKCNH2MAPTRECQL | |
| SCHEMBL29327276 | 0.72 | HTR2C (0.41) | KCNH2 |
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 |