Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.66 |
| ▸ | POLB | P06746 | 2/20 | 0.66 |
| ▸ | CA12 | O43570 | 2/20 | 0.50 |
| ▸ | CA2 | P00918 | 2/20 | 0.50 |
| ▸ | CA9 | Q16790 | 2/20 | 0.50 |
| ▸ | LMNA | P02545 | 2/20 | 0.50 |
| ▸ | CA1 | P00915 | 1/20 | 0.50 |
| ▸ | GAA | P10253 | 1/20 | 0.50 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.48 |
| ▸ | ATM | Q13315 | 1/20 | 0.46 |
| ▸ | PTGS2 | P35354 | 2/20 | 0.45 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.45 |
| ▸ | MEN1 | O00255 | 2/20 | 0.41 |
| ▸ | NPC1 | O15118 | 1/20 | 0.41 |
| ▸ | RAB9A | P51151 | 1/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.41 |
| ▸ | F2 | P00734 | 2/20 | 0.41 |
| ▸ | PRSS1 | P07477 | 2/20 | 0.41 |
| ▸ | PRSS2 | P07478 | 2/20 | 0.41 |
| ▸ | PRSS3 | P35030 | 2/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL29113394 | 1.00 | ALDH1A1 (0.66) | ALDH1A1POLBCA12CA2CA9 | |
| SCHEMBL16802983 | 0.90 | ALDH1A1 (0.78) | ALDH1A1POLBCA12CA2CA9 | |
| SCHEMBL307938 | 0.90 | ALDH1A1 (0.78) | ALDH1A1POLBCA12CA2CA9 | |
| SCHEMBL10073012 | 0.90 | ALDH1A1 (0.78) | ALDH1A1POLBCA12CA2CA9 | |
| SCHEMBL29113421 | 0.89 | ALDH1A1 (0.54) | ALDH1A1POLBCA12CA2CA9 | |
| SCHEMBL29113423 | 0.89 | ALDH1A1 (0.54) | ALDH1A1POLBCA12CA2CA9 | |
| SCHEMBL10047304 | 0.89 | ALDH1A1 (0.64) | ALDH1A1POLBCA12CA2CA9 | |
| SCHEMBL12444207 | 0.89 | ALDH1A1 (0.64) | ALDH1A1POLBCA12CA2CA9 | |
| SCHEMBL29113441 | 0.87 | ALDH1A1 (0.56) | ALDH1A1POLBCA12CA2CA9 | |
| SCHEMBL29113445 | 0.87 | ALDH1A1 (0.56) | ALDH1A1POLBCA12CA2CA9 |
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-110914241-B | Propionic acid derivatives and methods of use thereof | 阿维亚拉药品有限公司 | 2023-11-14 | — | — | CN | disclosed |