Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ENPP2 | Q13822 | 2/20 | 0.49 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.49 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.49 |
| ▸ | HPGD | P15428 | 1/20 | 0.49 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.49 |
| ▸ | CCNC | P24863 | 1/20 | 0.44 |
| ▸ | CDK8 | P49336 | 1/20 | 0.44 |
| ▸ | BACE1 | P56817 | 3/20 | 0.44 |
| ▸ | NLRP3 | Q96P20 | 3/20 | 0.43 |
| ▸ | FAAH | O00519 | 1/20 | 0.43 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.42 |
| ▸ | MAPK14 | Q16539 | 1/20 | 0.42 |
| ▸ | TYR | P14679 | 1/20 | 0.42 |
| ▸ | APP | P05067 | 1/20 | 0.41 |
| ▸ | MAPT | P10636 | 1/20 | 0.41 |
| ▸ | GHSR | Q92847 | 1/20 | 0.40 |
| ▸ | MAOA | P21397 | 2/20 | 0.39 |
| ▸ | AHR | P35869 | 3/20 | 0.39 |
| ▸ | CMA1 | P23946 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL27891513 | 1.00 | ENPP2 (0.49) | ENPP2KDM4EALDH1A1HPGDHSD17B10 | |
| SCHEMBL27607016 | 0.79 | CYP2A6 (0.56) | ENPP2KDM4EALDH1A1HPGDHSD17B10 | |
| Maleic Acid SCHEMBL31609215 | 0.76 | BLM (0.47) | ENPP2KDM4EALDH1A1HPGDHSD17B10 | |
| SCHEMBL3105331 | 0.76 | KDM4E (0.56) | ENPP2KDM4EALDH1A1HPGDHSD17B10 | |
| SCHEMBL29627552 | 0.76 | KDM4E (0.56) | ENPP2KDM4EALDH1A1HPGDHSD17B10 | |
| Water SCHEMBL8810335 | 0.74 | KDM4E (0.54) | ENPP2KDM4EALDH1A1HPGDHSD17B10 | |
| SCHEMBL6214767 | 0.74 | TBXA2R (0.56) | CYP2A6 | |
| SCHEMBL6214765 | 0.74 | TBXA2R (0.56) | CYP2A6 | |
| SCHEMBL11366685 | 0.74 | MAOB (0.46) | ALDH1A1 | |
| SCHEMBL11574440 | 0.73 | TYR (0.46) | ENPP2KDM4EALDH1A1HPGDHSD17B10 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-102267988-A | 2-aminopyrimidine derivatives and their medical use | NOVARTIS LTD | 2011-12-07 | — | — | CN | disclosed |
| CN-1802357-A | 2-aminopyrimidine derivatives and their medical use | NOVARTIS AG (CH) | 2006-07-12 | — | — | CN | disclosed |