Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.56 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.56 |
| ▸ | HSD11B1 | P28845 | 4/20 | 0.52 |
| ▸ | TNKS | O95271 | 3/20 | 0.51 |
| ▸ | PARP2 | Q9UGN5 | 1/20 | 0.51 |
| ▸ | CHRM2 | P08172 | 2/20 | 0.49 |
| ▸ | CHRM4 | P08173 | 2/20 | 0.49 |
| ▸ | CHRM1 | P11229 | 2/20 | 0.49 |
| ▸ | CHRM3 | P20309 | 2/20 | 0.49 |
| ▸ | CHRM5 | P08912 | 1/20 | 0.49 |
| ▸ | CCR5 | P51681 | 1/20 | 0.49 |
| ▸ | OPRL1 | P41146 | 1/20 | 0.47 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.47 |
| ▸ | PMP22 | Q01453 | 1/20 | 0.47 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.47 |
| ▸ | TNKS2 | Q9H2K2 | 1/20 | 0.47 |
| ▸ | OPRM1 | P35372 | 2/20 | 0.47 |
| ▸ | OPRD1 | P41143 | 1/20 | 0.47 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.47 |
| ▸ | OGFRL1 | Q5TC84 | 1/20 | 0.47 |
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 | |
|---|---|---|---|---|
| SCHEMBL15289030 | 1.00 | ALDH1A1 (0.56) | ALDH1A1MAPK1HSD11B1TNKSPARP2 | |
| SCHEMBL22605771 | 1.00 | ALDH1A1 (0.56) | ALDH1A1MAPK1HSD11B1TNKSPARP2 | |
| SCHEMBL8863582 | 0.94 | CHRM1 (0.59) | ALDH1A1MAPK1HSD11B1CHRM2CHRM4 | |
| SCHEMBL8863635 | 0.94 | CHRM1 (0.59) | ALDH1A1MAPK1HSD11B1CHRM2CHRM4 | |
| SCHEMBL8863576 | 0.94 | CHRM1 (0.59) | ALDH1A1MAPK1HSD11B1CHRM2CHRM4 | |
| SCHEMBL22605489 | 0.91 | ALDH1A1 (0.50) | ALDH1A1MAPK1HSD11B1CHRM2CHRM4 | |
| SCHEMBL22588003 | 0.91 | ALDH1A1 (0.50) | ALDH1A1MAPK1HSD11B1CHRM2CHRM4 | |
| SCHEMBL30317025 | 0.91 | ALDH1A1 (0.50) | ALDH1A1MAPK1HSD11B1CHRM2CHRM4 | |
| SCHEMBL15289136 | 0.85 | TNKS (0.46) | ALDH1A1MAPK1TNKSPARP2TNKS2 | |
| SCHEMBL7184086 | 0.83 | ALDH1A1 (0.49) | ALDH1A1MAPK1HSD11B1TNKSPARP2 |
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-111848598-B | Heterocyclic compound, application thereof and composition containing same | 健艾仕生物医药有限公司 | 2024-12-10 | — | — | CN | disclosed |
| CN-111848598-A | Heterocyclic ring-containing compound, application thereof and composition containing heterocyclic ring-containing compound | 健艾仕生物医药有限公司 | 2020-10-30 | — | — | CN | disclosed |