Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 7/20 | 0.46 |
| ▸ | RAB9A | P51151 | 7/20 | 0.46 |
| ▸ | KDM4E | B2RXH2 | 5/20 | 0.46 |
| ▸ | HPGD | P15428 | 5/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.46 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.46 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.46 |
| ▸ | GAA | P10253 | 2/20 | 0.46 |
| ▸ | CASP1 | P29466 | 1/20 | 0.46 |
| ▸ | MAPK10 | P53779 | 1/20 | 0.46 |
| ▸ | CASP7 | P55210 | 1/20 | 0.46 |
| ▸ | SCD | O00767 | 1/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 5/20 | 0.43 |
| ▸ | MEN1 | O00255 | 4/20 | 0.43 |
| ▸ | MAPT | P10636 | 2/20 | 0.43 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.43 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.43 |
| ▸ | CYP11B1 | P15538 | 2/20 | 0.43 |
| ▸ | CYP11B2 | P19099 | 2/20 | 0.43 |
| ▸ | CYP17A1 | P05093 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL6226493 | 0.81 | KDM4E (0.59) | NPC1RAB9AKDM4EHPGDALDH1A1 | |
| SCHEMBL3424662 | 0.78 | KDM4E (0.68) | NPC1RAB9AKDM4EHPGDALDH1A1 | |
| SCHEMBL27712675 | 0.73 | RAB9A (0.43) | NPC1RAB9AKDM4EHPGDALDH1A1 | |
| SCHEMBL9391584 | 0.72 | GRM4 (0.43) | ALDH1A1SCD | |
| SCHEMBL3059145 | 0.72 | NPC1 (0.56) | NPC1RAB9AKDM4EHPGDALDH1A1 | |
| SCHEMBL27463889 | 0.70 | KDM4E (0.47) | NPC1RAB9AKDM4EHPGDALDH1A1 | |
| SCHEMBL4202789 | 0.70 | LTA4H (0.42) | NPC1RAB9AKDM4EHPGDALDH1A1 | |
| SCHEMBL14334272 | 0.70 | NPC1 (0.46) | NPC1RAB9AKDM4EHPGDALDH1A1 | |
| SCHEMBL3420990 | 0.68 | KDM4E (0.53) | NPC1RAB9AKDM4EHPGDALDH1A1 | |
| SCHEMBL19308315 | 0.68 | TP53 (0.43) | NPC1RAB9AHPGDALDH1A1SMN1; SMN2 |
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-2010045009-A1 | PHENYL AND HETEROARYL SUBSTITUTED THIENO[2,3-d] PYRIMIDINES AND THEIR USE AS ADENOSINE A2a RECEPTOR ANTAGONISTS | JANSSEN PHARMACEUTICA NV (BE) | 2010-04-22 | — | — | WO | disclosed |