Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AKR1B1 | P15121 | 1/20 | 0.78 |
| ▸ | OR51E2 | Q9H255 | 1/20 | 0.33 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.33 |
| ▸ | LMNA | P02545 | 1/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.33 |
| ▸ | PAX8 | Q06710 | 1/20 | 0.33 |
| ▸ | GAPDH | P04406 | 1/20 | 0.32 |
| ▸ | FFAR3 | O14843 | 1/20 | 0.32 |
| ▸ | LCK | P06239 | 1/20 | 0.32 |
| ▸ | FYN | P06241 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| Acetone SCHEMBL1711073 | 1.00 | AKR1B1 (0.78) | AKR1B1OR51E2TDP1LMNAALDH1A1 | |
| Acetone SCHEMBL5567209 | 1.00 | AKR1B1 (0.78) | AKR1B1OR51E2TDP1LMNAALDH1A1 | |
| Acetone SCHEMBL9466071 | 1.00 | AKR1B1 (0.78) | AKR1B1OR51E2TDP1LMNAALDH1A1 | |
| Acetone SCHEMBL2871076 | 1.00 | AKR1B1 (0.78) | AKR1B1OR51E2TDP1LMNAALDH1A1 | |
| Acetone SCHEMBL27957990 | 0.93 | AKR1B1 (0.67) | AKR1B1PAX8 | |
| SCHEMBL8440817 | 0.90 | AKR1B1 (0.70) | AKR1B1OR51E2TDP1ALDH1A1PAX8 | |
| Mannitol SCHEMBL10506495 | 0.89 | AKR1B1 (0.61) | AKR1B1TDP1LMNAPAX8 | |
| SCHEMBL19505 | 0.88 | — | — | |
| SCHEMBL2121317 | 0.88 | — | — | |
| SCHEMBL22045 | 0.88 | — | — |
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-108610322-B | Preparation method of R-glyceraldehyde acetonide | 江苏八巨药业有限公司 | 2020-04-07 | — | — | CN | disclosed |