Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MTNR1A | P48039 | 1/20 | 0.35 |
| ▸ | MTNR1B | P49286 | 1/20 | 0.35 |
| ▸ | CRBN | Q96SW2 | 1/20 | 0.34 |
| ▸ | PARP10 | Q53GL7 | 8/20 | 0.34 |
| ▸ | PARP1 | P09874 | 6/20 | 0.34 |
| ▸ | PARP11 | Q9NR21 | 4/20 | 0.34 |
| ▸ | PDPK1 | O15530 | 1/20 | 0.34 |
| ▸ | F7 | P08709 | 1/20 | 0.31 |
| ▸ | F3 | P13726 | 1/20 | 0.31 |
| ▸ | OR51E2 | Q9H255 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL1889561 | 0.86 | CRBN (0.39) | CRBNPARP10PARP1PARP11PDPK1 | |
| SCHEMBL26613464 | 0.81 | AHR (0.31) | PARP1 | |
| SCHEMBL26613445 | 0.78 | AHR (0.31) | PARP1 | |
| SCHEMBL2061125 | 0.75 | PARP10 (0.53) | MTNR1AMTNR1BCRBNPARP10PARP1 | |
| SCHEMBL7838117 | 0.73 | CYP2A6 (0.54) | — | |
| SCHEMBL909853 | 0.73 | PARP10 (0.56) | PARP10PARP1PARP11PDPK1F7 | |
| SCHEMBL393532 | 0.73 | PARP10 (0.56) | PARP10PARP1PARP11PDPK1F7 | |
| SCHEMBL18584725 | 0.72 | HTR2C (0.52) | — | |
| SCHEMBL104221 | 0.71 | — | — | |
| SCHEMBL104616 | 0.71 | — | — |
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-116332910-A | 2-aminopyrimidine derivatives as kinase inhibitors, preparation and use thereof | 江苏威凯尔医药科技有限公司 | 2023-06-27 | — | — | CN | disclosed |