Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AOC1 | P19801 | 2/20 | 0.49 |
| ▸ | AOC3 | Q16853 | 2/20 | 0.49 |
| ▸ | PTGS1 | P23219 | 4/20 | 0.41 |
| ▸ | PTGS2 | P35354 | 3/20 | 0.41 |
| ▸ | LMNA | P02545 | 2/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.41 |
| ▸ | SLC22A12 | Q96S37 | 2/20 | 0.40 |
| ▸ | MITF | O75030 | 1/20 | 0.39 |
| ▸ | MAPT | P10636 | 1/20 | 0.39 |
| ▸ | TRPM8 | Q7Z2W7 | 1/20 | 0.39 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.39 |
| ▸ | CA12 | O43570 | 1/20 | 0.39 |
| ▸ | CA1 | P00915 | 1/20 | 0.39 |
| ▸ | CA2 | P00918 | 1/20 | 0.39 |
| ▸ | CA9 | Q16790 | 1/20 | 0.39 |
| ▸ | MAOA | P21397 | 2/20 | 0.38 |
| ▸ | CHRNB4 | P30926 | 1/20 | 0.36 |
| ▸ | CHRNA3 | P32297 | 1/20 | 0.36 |
| ▸ | KCNH3 | Q9ULD8 | 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 | |
|---|---|---|---|---|
| SCHEMBL26550279 | 0.85 | AOC1 (0.53) | AOC1AOC3PTGS1PTGS2LMNA | |
| SCHEMBL21515820 | 0.79 | AOC1 (0.44) | AOC1AOC3PTGS1PTGS2SLC22A12 | |
| Hydrochloric Acid SCHEMBL28441332 | 0.77 | AOC1 (0.46) | AOC1AOC3PTGS1PTGS2SLC22A12 | |
| SCHEMBL23934641 | 0.76 | CA12 (0.49) | PTGS1PTGS2SLC22A12MAPTCA12 | |
| SCHEMBL21540857 | 0.75 | AOC1 (0.53) | AOC1AOC3PTGS1PTGS2LMNA | |
| SCHEMBL16884493 | 0.73 | AOC1 (0.56) | AOC1AOC3MAPTL3MBTL1 | |
| SCHEMBL29376653 | 0.73 | AOC1 (0.56) | AOC1AOC3MAPTL3MBTL1 | |
| SCHEMBL29277495 | 0.73 | AOC1 (0.51) | AOC1AOC3PTGS1PTGS2LMNA | |
| SCHEMBL5768195 | 0.73 | AOC1 (0.51) | AOC1AOC3PTGS1PTGS2SMN1; SMN2 | |
| SCHEMBL26240072 | 0.73 | AOC1 (0.51) | AOC1AOC3LMNA |
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-2020011220-A1 | HETEROARYL DERIVATIVE, PREPARATION METHOD THEREFOR, AND MEDICAL USE THEREOF | 江苏恒瑞医药股份有限公司 | 2020-01-16 | — | — | WO | disclosed |