Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HRH3 | Q9Y5N1 | 2/20 | 0.48 |
| ▸ | TRPV4 | Q9HBA0 | 1/20 | 0.45 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.43 |
| ▸ | NPC1 | O15118 | 1/20 | 0.41 |
| ▸ | LMNA | P02545 | 1/20 | 0.41 |
| ▸ | TP53 | P04637 | 1/20 | 0.41 |
| ▸ | RAB9A | P51151 | 1/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.41 |
| ▸ | ADAMTS5 | Q9UNA0 | 5/20 | 0.41 |
| ▸ | MMP2 | P08253 | 1/20 | 0.38 |
| ▸ | GSK3B | P49841 | 2/20 | 0.37 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.37 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.37 |
| ▸ | SLC18A3 | Q16572 | 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 | |
|---|---|---|---|---|
| SCHEMBL15858036 | 1.00 | HRH3 (0.48) | HRH3TRPV4MAPK1NPC1LMNA | |
| SCHEMBL15858008 | 1.00 | HRH3 (0.48) | HRH3TRPV4MAPK1NPC1LMNA | |
| SCHEMBL27372185 | 0.84 | SMN1; SMN2 (0.47) | HRH3MAPK1LMNATP53SMN1; SMN2 | |
| SCHEMBL2610122 | 0.84 | SMN1; SMN2 (0.47) | HRH3MAPK1LMNATP53SMN1; SMN2 | |
| SCHEMBL19003699 | 0.84 | SMN1; SMN2 (0.47) | HRH3MAPK1LMNATP53SMN1; SMN2 | |
| SCHEMBL21590149 | 0.82 | HRH3 (0.51) | HRH3TRPV4MAPK1NPC1RAB9A | |
| SCHEMBL21590260 | 0.82 | HRH3 (0.51) | HRH3TRPV4MAPK1NPC1RAB9A | |
| SCHEMBL20884848 | 0.82 | KDM4E (0.52) | TRPV4MAPK1NPC1LMNATP53 | |
| SCHEMBL14922270 | 0.82 | DRD2 (0.50) | MAPK1LMNATP53ADAMTS5MMP2 | |
| SCHEMBL189064 | 0.82 | KDM4E (0.52) | TRPV4MAPK1NPC1LMNATP53 |
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 |