Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PARP1 | P09874 | 1/20 | 0.44 |
| ▸ | TNKS2 | Q9H2K2 | 1/20 | 0.44 |
| ▸ | PARP2 | Q9UGN5 | 1/20 | 0.44 |
| ▸ | ADORA1 | P30542 | 2/20 | 0.43 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.41 |
| ▸ | NR1H2 | P55055 | 1/20 | 0.40 |
| ▸ | F12 | P00748 | 3/20 | 0.39 |
| ▸ | MAPT | P10636 | 2/20 | 0.39 |
| ▸ | TRPV1 | Q8NER1 | 2/20 | 0.38 |
| ▸ | SPR | P35270 | 1/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.38 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.38 |
| ▸ | GRM5 | P41594 | 1/20 | 0.36 |
| ▸ | P2RX3 | P56373 | 1/20 | 0.36 |
| ▸ | DDB1 | Q16531 | 1/20 | 0.36 |
| ▸ | CRBN | Q96SW2 | 1/20 | 0.36 |
| ▸ | FABP4 | P15090 | 1/20 | 0.36 |
| ▸ | FABP5 | Q01469 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL13250475 | 0.80 | PARP1 (0.51) | PARP1TNKS2PARP2ADORA1ESR2 | |
| SCHEMBL31138807 | 0.78 | ADORA1 (0.45) | PARP1TNKS2PARP2ADORA1ESR2 | |
| SCHEMBL2456754 | 0.78 | SPR (0.46) | PARP1TNKS2PARP2ADORA1ESR2 | |
| SCHEMBL30474108 | 0.78 | ESR2 (0.46) | PARP1TNKS2PARP2ADORA1ESR2 | |
| SCHEMBL2191982 | 0.76 | DDB1 (0.38) | PARP1TNKS2PARP2NR1H2MAPT | |
| SCHEMBL17229883 | 0.75 | ADORA1 (0.45) | PARP1TNKS2PARP2ADORA1ESR2 | |
| SCHEMBL29689663 | 0.75 | ADORA1 (0.47) | PARP1TNKS2PARP2ADORA1ESR2 | |
| SCHEMBL2270578 | 0.73 | PARP1 (0.57) | PARP1TNKS2PARP2TRPV1MAPK1 | |
| SCHEMBL123032 | 0.73 | ESR2 (0.54) | PARP1TNKS2PARP2ADORA1ESR2 | |
| SCHEMBL1967387 | 0.73 | ADORA1 (0.45) | PARP1TNKS2PARP2ADORA1ESR2 |
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 |
|---|---|---|---|---|---|---|---|
| CN-118480029-A | 2-Aminopyrimidine compound or salt thereof, and preparation method and application thereof | 励缔(杭州)医药科技有限公司 | 2024-08-13 | — | — | CN | disclosed |