Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ACSS2 | Q9NR19 | 1/20 | 0.49 |
| ▸ | MAPK14 | Q16539 | 1/20 | 0.47 |
| ▸ | TRPV1 | Q8NER1 | 1/20 | 0.47 |
| ▸ | NOTUM | Q6P988 | 1/20 | 0.46 |
| ▸ | GSK3B | P49841 | 1/20 | 0.45 |
| ▸ | DYRK1A | Q13627 | 1/20 | 0.45 |
| ▸ | CYP17A1 | P05093 | 1/20 | 0.44 |
| ▸ | MAPKAPK2 | P49137 | 2/20 | 0.44 |
| ▸ | MAOB | P27338 | 2/20 | 0.44 |
| ▸ | ACHE | P22303 | 2/20 | 0.44 |
| ▸ | MAOA | P21397 | 1/20 | 0.44 |
| ▸ | QPCT | Q16769 | 1/20 | 0.43 |
| ▸ | RORC | P51449 | 2/20 | 0.43 |
| ▸ | PDE1C | Q14123 | 1/20 | 0.43 |
| ▸ | CA12 | O43570 | 1/20 | 0.43 |
| ▸ | CA1 | P00915 | 1/20 | 0.43 |
| ▸ | CA9 | Q16790 | 1/20 | 0.43 |
| ▸ | NAMPT | P43490 | 1/20 | 0.43 |
| ▸ | NPC1 | O15118 | 1/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL16406932 | 0.90 | NOTUM (0.54) | ACSS2MAPK14TRPV1NOTUMGSK3B | |
| SCHEMBL28087693 | 0.85 | EGFR (0.46) | ACSS2MAPK14NOTUMGSK3BDYRK1A | |
| SCHEMBL29522898 | 0.83 | ALDH1A1 (0.50) | MAPK14TRPV1NOTUMQPCTPDE1C | |
| SCHEMBL28490404 | 0.83 | ALDH1A1 (0.50) | MAPK14TRPV1NOTUMQPCTPDE1C | |
| SCHEMBL18136169 | 0.82 | ACSS2 (0.44) | ACSS2MAPK14NOTUMGSK3BDYRK1A | |
| SCHEMBL29910097 | 0.81 | CA12 (0.48) | ACSS2MAPK14NOTUMGSK3BDYRK1A | |
| SCHEMBL22920024 | 0.81 | CA12 (0.48) | ACSS2MAPK14NOTUMGSK3BDYRK1A | |
| SCHEMBL31510405 | 0.81 | HPGD (0.50) | TRPV1NOTUMMAOBACHEMAOA | |
| SCHEMBL4898390 | 0.80 | TRPV1 (0.52) | TRPV1NOTUMMAOBACHEMAOA | |
| SCHEMBL30006626 | 0.80 | MAPT (0.53) | TRPV1NOTUMMAOBACHEMAOA |
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-109311813-B | Palladium-catalyzed meta-C-H functionalized universal ligands | 斯克利普斯研究院 | 2023-02-28 | — | — | CN | disclosed |