Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA2 | P00918 | 5/20 | 0.50 |
| ▸ | CA1 | P00915 | 4/20 | 0.50 |
| ▸ | CA12 | O43570 | 3/20 | 0.50 |
| ▸ | CA14 | Q9ULX7 | 3/20 | 0.50 |
| ▸ | CA7 | P43166 | 2/20 | 0.50 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.45 |
| ▸ | HPGD | P15428 | 1/20 | 0.45 |
| ▸ | RELA | Q04206 | 4/20 | 0.44 |
| ▸ | PPARA | Q07869 | 2/20 | 0.39 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.39 |
| ▸ | CA9 | Q16790 | 1/20 | 0.39 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.36 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.36 |
| ▸ | EPHX1 | P07099 | 1/20 | 0.36 |
| ▸ | MEN1 | O00255 | 1/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 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 | |
|---|---|---|---|---|
| SCHEMBL18205379 | 0.84 | MAPK1 (0.39) | CA2CA1CA12CA14CA7 | |
| SCHEMBL5710485 | 0.84 | RELA (0.44) | CA2CA1CA12CA14CA7 | |
| SCHEMBL608990 | 0.81 | CA1 (0.61) | CA2CA1CA12CA14CA7 | |
| SCHEMBL5689484 | 0.81 | CA1 (0.61) | CA2CA1CA12CA14CA7 | |
| SCHEMBL25632101 | 0.79 | MAPK1 (0.36) | ALDH1A1HPGDRELAMAPK1CYP3A4 | |
| SCHEMBL22950990 | 0.79 | ALDH1A1 (0.33) | ALDH1A1HPGDMAPK1 | |
| SCHEMBL7687766 | 0.77 | RELA (0.66) | CA2CA1CA12CA14CA7 | |
| SCHEMBL13204921 | 0.77 | MAPK1 (0.50) | CA2CA1CA12CA14CA7 | |
| Hydrochloric Acid SCHEMBL3520172 | 0.76 | RELA (0.37) | CA2ALDH1A1HPGDRELAMAPK1 | |
| SCHEMBL1829856 | 0.75 | RELA (0.48) | CA2CA1CA12CA14CA7 |
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-2022204288-A1 | BRANCHED TAIL LIPID COMPOUNDS AND COMPOSITIONS FOR INTRACELLULAR DELIVERY OF THERAPEUTIC AGENTS | MODERNATX, INC. (US) | 2022-09-29 | — | — | WO | disclosed |