Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADORA1 | P30542 | 5/20 | 0.39 |
| ▸ | ADORA2A | P29274 | 7/20 | 0.38 |
| ▸ | MEN1 | O00255 | 3/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.36 |
| ▸ | GAA | P10253 | 2/20 | 0.36 |
| ▸ | MAPT | P10636 | 2/20 | 0.36 |
| ▸ | PKM | P14618 | 2/20 | 0.36 |
| ▸ | HPGD | P15428 | 2/20 | 0.36 |
| ▸ | ALOX12 | P18054 | 2/20 | 0.36 |
| ▸ | USP2 | O75604 | 1/20 | 0.36 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.36 |
| ▸ | CASP1 | P29466 | 1/20 | 0.36 |
| ▸ | CASP7 | P55210 | 1/20 | 0.36 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.36 |
| ▸ | DHFR | P00374 | 1/20 | 0.35 |
| ▸ | RPS6KA3 | P51812 | 1/20 | 0.35 |
| ▸ | PRKAB2 | O43741 | 2/20 | 0.35 |
| ▸ | PRKAG1 | P54619 | 2/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL30353594 | 1.00 | ADORA1 (0.39) | ADORA1ADORA2AMEN1KMT2AKDM4E | |
| SCHEMBL29947054 | 0.84 | ADORA2A (0.48) | ADORA1ADORA2APRKAB2PRKAG1PRKAA2 | |
| SCHEMBL28938537 | 0.84 | ADORA2A (0.48) | ADORA1ADORA2APRKAB2PRKAG1PRKAA2 | |
| SCHEMBL28345552 | 0.83 | ADORA1 (0.37) | ADORA1ADORA2AMEN1KMT2ADHFR | |
| SCHEMBL30353570 | 0.83 | ADORA1 (0.37) | ADORA1ADORA2AMEN1KMT2ADHFR | |
| SCHEMBL28345465 | 0.83 | ADORA1 (0.50) | ADORA1ADORA2AMEN1KMT2AKDM4E | |
| SCHEMBL30353598 | 0.83 | ADORA1 (0.50) | ADORA1ADORA2AMEN1KMT2AKDM4E | |
| SCHEMBL21621287 | 0.82 | ADORA1 (0.39) | ADORA1ADORA2AKMT2ARPS6KA3PRKAB2 | |
| SCHEMBL29947005 | 0.82 | ADORA1 (0.39) | ADORA1ADORA2AKMT2ARPS6KA3PRKAB2 | |
| SCHEMBL30353575 | 0.80 | ADORA1 (0.38) | ADORA1ADORA2AMEN1KMT2ADHFR |
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-110655509-B | 2-aminopyrimidine derivatives, preparation method and medical application thereof | 江苏恒瑞医药股份有限公司 | 2023-01-24 | — | — | CN | disclosed |
| CN-110655509-A | 2-aminopyrimidine derivatives, preparation method and medical application thereof | 江苏恒瑞医药股份有限公司 | 2020-01-07 | — | — | CN | disclosed |