Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.43 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.43 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.43 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.42 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.42 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.42 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.42 |
| ▸ | CYSLTR2 | Q9NS75 | 1/20 | 0.40 |
| ▸ | CYSLTR1 | Q9Y271 | 1/20 | 0.40 |
| ▸ | CNR1 | P21554 | 3/20 | 0.39 |
| ▸ | CNR2 | P34972 | 3/20 | 0.39 |
| ▸ | AOC3 | Q16853 | 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 | |
|---|---|---|---|---|
| SCHEMBL30954272 | 0.98 | KDM4E (0.44) | ALDH1A1CYP1A2CYP2C9CYP2C19KMT2A | |
| SCHEMBL10581470 | 0.98 | KDM4E (0.44) | ALDH1A1CYP1A2CYP2C9CYP2C19KMT2A | |
| SCHEMBL10579811 | 0.98 | KDM4E (0.44) | ALDH1A1CYP1A2CYP2C9CYP2C19KMT2A | |
| SCHEMBL10584809 | 0.98 | KDM4E (0.44) | ALDH1A1CYP1A2CYP2C9CYP2C19KMT2A | |
| SCHEMBL10584199 | 0.98 | KDM4E (0.44) | ALDH1A1CYP1A2CYP2C9CYP2C19KMT2A | |
| SCHEMBL10583657 | 0.98 | KDM4E (0.44) | ALDH1A1CYP1A2CYP2C9CYP2C19KMT2A | |
| SCHEMBL10580910 | 0.95 | ALDH1A1 (0.44) | ALDH1A1CYP1A2CYP2C9CYP2C19KMT2A | |
| SCHEMBL10580574 | 0.95 | KDM4E (0.46) | ALDH1A1CYP1A2CYP2C9CYP2C19KMT2A | |
| SCHEMBL10579678 | 0.95 | KDM4E (0.46) | ALDH1A1CYP1A2CYP2C9CYP2C19KMT2A | |
| SCHEMBL10580092 | 0.95 | KDM4E (0.46) | ALDH1A1CYP1A2CYP2C9CYP2C19KMT2A |
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 |