Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAPT | P10636 | 3/20 | 0.46 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.46 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.46 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.46 |
| ▸ | NUDT1 | P36639 | 1/20 | 0.46 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.44 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.44 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.44 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.44 |
| ▸ | GAA | P10253 | 1/20 | 0.44 |
| ▸ | HPGD | P15428 | 1/20 | 0.44 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.44 |
| ▸ | PDE10A | Q9Y233 | 4/20 | 0.43 |
| ▸ | TDO2 | P48775 | 1/20 | 0.41 |
| ▸ | ADORA2A | P29274 | 6/20 | 0.40 |
| ▸ | ADORA1 | P30542 | 5/20 | 0.40 |
| ▸ | ADORA3 | P0DMS8 | 4/20 | 0.40 |
| ▸ | NPC1 | O15118 | 2/20 | 0.36 |
| ▸ | RAB9A | P51151 | 2/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL12629776 | 0.79 | MAPT (0.45) | MAPTCYP1A2CYP2C9CYP2C19NUDT1 | |
| SCHEMBL25545962 | 0.69 | TDO2 (0.46) | MAPTCYP1A2KDM4EMAPK1NPSR1 | |
| SCHEMBL2547017 | 0.68 | ADORA2A (0.53) | MAPTKDM4EMAPK1NPSR1L3MBTL1 | |
| SCHEMBL255496 | 0.67 | GAA (0.59) | MAPTCYP1A2KDM4EMAPK1NPSR1 | |
| SCHEMBL26522667 | 0.67 | TDO2 (0.44) | MAPTCYP1A2CYP2C9CYP2C19KDM4E | |
| SCHEMBL16547470 | 0.67 | HRH4 (0.48) | MAPTCYP1A2CYP2C19KDM4EMAPK1 | |
| SCHEMBL4895758 | 0.66 | KDM4E (0.49) | MAPTCYP1A2CYP2C9CYP2C19KDM4E | |
| SCHEMBL29444102 | 0.65 | MAPT (1.00) | MAPTCYP1A2CYP2C9CYP2C19NUDT1 | |
| SCHEMBL503252 | 0.65 | MAPT (1.00) | MAPTCYP1A2CYP2C9CYP2C19NUDT1 | |
| SCHEMBL17066470 | 0.65 | TDO2 (0.49) | MAPTCYP1A2KDM4EMAPK1NPSR1 |
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-2282999-B1 | AMINO-QUINOXALINE AND AMINO-QUINOLINE COMPOUNDS FOR USE AS ADENOSINE A2A RECEPTOR ANTAGONISTS | MERCK SHARP & DOHME (US) | 2014-05-21 | — | — | EP | disclosed |