Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAPK1 | P28482 | 2/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.40 |
| ▸ | L3MBTL1 | Q9Y468 | 3/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.40 |
| ▸ | TLR4 | O00206 | 2/20 | 0.39 |
| ▸ | ATM | Q13315 | 2/20 | 0.38 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.38 |
| ▸ | CHRM4 | P08173 | 1/20 | 0.38 |
| ▸ | CHRM5 | P08912 | 1/20 | 0.38 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.38 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.38 |
| ▸ | HPGD | P15428 | 1/20 | 0.38 |
| ▸ | TSHR | P16473 | 1/20 | 0.37 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL5896955 | 1.00 | MAPK1 (0.40) | MAPK1ALDH1A1L3MBTL1KDM4ETLR4 | |
| SCHEMBL9442231 | 0.95 | MAPK1 (0.46) | MAPK1ALDH1A1L3MBTL1KDM4ETLR4 | |
| SCHEMBL26679307 | 0.95 | MAPK1 (0.46) | MAPK1ALDH1A1L3MBTL1KDM4ETLR4 | |
| SCHEMBL5897037 | 0.94 | TSHR (0.42) | ALDH1A1CHRM2CHRM4CHRM5CHRM1 | |
| SCHEMBL28553006 | 0.94 | TSHR (0.42) | ALDH1A1CHRM2CHRM4CHRM5CHRM1 | |
| SCHEMBL14569654 | 0.94 | TSHR (0.42) | ALDH1A1CHRM2CHRM4CHRM5CHRM1 | |
| SCHEMBL5897639 | 0.94 | MAPK1 (0.44) | MAPK1ALDH1A1L3MBTL1KDM4ETLR4 | |
| SCHEMBL14569653 | 0.89 | TSHR (0.41) | MAPK1ALDH1A1CHRM2CHRM4CHRM5 | |
| SCHEMBL5897036 | 0.89 | TSHR (0.41) | MAPK1ALDH1A1CHRM2CHRM4CHRM5 | |
| SCHEMBL21331472 | 0.86 | MCL1 (0.41) | MAPK1ALDH1A1L3MBTL1KDM4ETLR4 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2023220559-A2 | CATALYST-CONTROLLED SITE-SELECTIVE METHYLENE C-H LACTONIZATION OF DICARBOXYLIC ACIDS | THE SCRIPPS RESEARCH INSTITUTE (US) | 2023-11-16 | — | — | WO | disclosed |