Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADORA2A | P29274 | 2/20 | 0.47 |
| ▸ | MAPK14 | Q16539 | 4/20 | 0.47 |
| ▸ | MAPK10 | P53779 | 1/20 | 0.47 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.46 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.46 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.46 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.46 |
| ▸ | HPGD | P15428 | 1/20 | 0.46 |
| ▸ | HTT | P42858 | 1/20 | 0.46 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.46 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.45 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.45 |
| ▸ | SCN9A | Q15858 | 3/20 | 0.41 |
| ▸ | GPR84 | Q9NQS5 | 1/20 | 0.40 |
| ▸ | BCHE | P06276 | 1/20 | 0.40 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.39 |
| ▸ | GRM2 | Q14416 | 2/20 | 0.38 |
| ▸ | ADORA1 | P30542 | 2/20 | 0.38 |
| ▸ | TNKS | O95271 | 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 | |
|---|---|---|---|---|
| SCHEMBL7695816 | 0.85 | ALDH1A1 (0.43) | ADORA2AMAPK14CYP1A2CYP3A4CYP2C19 | |
| SCHEMBL7692593 | 0.84 | DHFR (0.43) | ADORA2AMAPK10KDM4EHPGDHTT | |
| SCHEMBL14667006 | 0.82 | MAPK14 (0.43) | ADORA2AMAPK14MAPK10CYP1A2CYP3A4 | |
| SCHEMBL7696278 | 0.81 | TDP1 (0.52) | ADORA2AKDM4EHTTNPSR1L3MBTL1 | |
| SCHEMBL7692244 | 0.77 | KDM4E (0.56) | ADORA2ACYP1A2KDM4EHPGDHTT | |
| SCHEMBL12131275 | 0.76 | MAPK14 (0.44) | ADORA2AMAPK14MAPK10CYP1A2CYP3A4 | |
| SCHEMBL16702152 | 0.73 | DHFR (0.47) | ADORA2ACYP1A2CYP3A4KDM4EHPGD | |
| SCHEMBL5555772 | 0.72 | CYP1A2 (0.56) | ADORA2AMAPK14CYP1A2CYP3A4CYP2C19 | |
| SCHEMBL27139390 | 0.71 | MAPK14 (0.53) | ADORA2AMAPK14MAPK10KDM4EL3MBTL1 | |
| SCHEMBL71619 | 0.71 | MAPK14 (0.81) | ADORA2AMAPK14MAPK10KDM4ENPSR1 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2002094796-A2 | BENZO[G]QUINOXALINE DERIVATIVES AS EFFECTIVE COMPOUNDS AGAINST INFECTIOUS DISEASES | AXXIMA PHARMACEUTICALS AG (DE) | 2002-11-28 | — | — | WO | disclosed |