Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | P2RX3 | P56373 | 3/20 | 0.43 |
| ▸ | CYSLTR2 | Q9NS75 | 1/20 | 0.43 |
| ▸ | CYSLTR1 | Q9Y271 | 1/20 | 0.43 |
| ▸ | CNR1 | P21554 | 1/20 | 0.43 |
| ▸ | MAPT | P10636 | 3/20 | 0.43 |
| ▸ | LMNA | P02545 | 1/20 | 0.43 |
| ▸ | SYK | P43405 | 1/20 | 0.42 |
| ▸ | LTA4H | P09960 | 3/20 | 0.41 |
| ▸ | PDE3B | Q13370 | 1/20 | 0.39 |
| ▸ | PDE3A | Q14432 | 1/20 | 0.39 |
| ▸ | P2RY12 | Q9H244 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.39 |
| ▸ | JAK2 | O60674 | 2/20 | 0.39 |
| ▸ | HDAC6 | Q9UBN7 | 2/20 | 0.39 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.39 |
| ▸ | NPC1 | O15118 | 1/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.39 |
| ▸ | HTT | P42858 | 1/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.38 |
| ▸ | PABPC1 | P11940 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL16245555 | 0.87 | P2RX3 (0.44) | P2RX3CYSLTR2CYSLTR1CNR1MAPT | |
| SCHEMBL16264855 | 0.84 | SYK (0.43) | MAPTLMNASYKALDH1A1JAK2 | |
| SCHEMBL16245559 | 0.84 | CYSLTR2 (0.44) | P2RX3CYSLTR2CYSLTR1CNR1MAPT | |
| SCHEMBL16245532 | 0.83 | PIN1 (0.53) | P2RX3CYSLTR2CYSLTR1CNR1MAPT | |
| SCHEMBL16245543 | 0.80 | PIN1 (0.54) | P2RX3CYSLTR2CYSLTR1CNR1MAPT | |
| SCHEMBL18869373 | 0.80 | SYK (0.56) | MAPTSYKALDH1A1JAK2KDM4E | |
| SCHEMBL18869076 | 0.79 | KDM4E (0.39) | MAPTLMNASYKALDH1A1KDM4E | |
| SCHEMBL18869078 | 0.78 | MEN1 (0.40) | MAPTLMNASYKKDM4E | |
| SCHEMBL16264828 | 0.74 | EGFR (0.45) | P2RX3SYKKDM4EHTTTDP1 | |
| SCHEMBL16264830 | 0.74 | EGFR (0.45) | P2RX3SYKKDM4EHTTTDP1 |
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-2994471-B1 | MACROCYCLES AS KINASE INHIBITORS | MERCK PATENT GMBH (DE) | 2017-05-17 | — | — | EP | disclosed |