Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TRPA1 | O75762 | 2/20 | 0.37 |
| ▸ | ATM | Q13315 | 1/20 | 0.37 |
| ▸ | CYP2C9 | P11712 | 3/20 | 0.33 |
| ▸ | HIF1A | Q16665 | 2/20 | 0.33 |
| ▸ | MEN1 | O00255 | 2/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.33 |
| ▸ | AKR1B10 | O60218 | 1/20 | 0.33 |
| ▸ | ABCB11 | O95342 | 1/20 | 0.33 |
| ▸ | DHFR | P00374 | 1/20 | 0.33 |
| ▸ | LMNA | P02545 | 1/20 | 0.33 |
| ▸ | MPO | P05164 | 1/20 | 0.33 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.33 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.33 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.33 |
| ▸ | AKR1B1 | P15121 | 1/20 | 0.33 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.33 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.33 |
| ▸ | AKR1C3 | P42330 | 1/20 | 0.33 |
| ▸ | AKR1C2 | P52895 | 1/20 | 0.33 |
| ▸ | AKR1C1 | Q04828 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL29092511 | 1.00 | TRPA1 (0.37) | TRPA1ATMCYP2C9HIF1AMEN1 | |
| SCHEMBL30628124 | 1.00 | TRPA1 (0.37) | TRPA1ATMCYP2C9HIF1AMEN1 | |
| SCHEMBL12817104 | 0.87 | CPT2 (0.35) | ATMCYP2C9HIF1AMEN1KMT2A | |
| SCHEMBL697581 | 0.87 | CPT2 (0.35) | ATMCYP2C9HIF1AMEN1KMT2A | |
| Water SCHEMBL28155256 | 0.85 | CPT2 (0.34) | ATMCYP2C9HIF1AMEN1KMT2A | |
| SCHEMBL27524735 | 0.80 | SLC1A3 (0.36) | KMT2ALMNATDP1KDM4EALDH1A1 | |
| SCHEMBL11610204 | 0.75 | TRPA1 (0.45) | TRPA1ATMCYP2C9HIF1AMEN1 | |
| SCHEMBL22639010 | 0.72 | MYC (0.38) | TRPA1ATMCYP2C9HIF1AMEN1 | |
| SCHEMBL30122149 | 0.72 | MYC (0.38) | TRPA1ATMCYP2C9HIF1AMEN1 | |
| SCHEMBL28084421 | 0.72 | LMNA (0.30) | LMNA |
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-110114346-B | Improved process for preparing R-6-hydroxy-8- [ 1-hydroxy-2- [2- (4-methoxyphenyl) -1, 1-dimethylethylaminoethyl ] -2H-1, 4-benzoxazin-3 (4H) -one hydrochloride | INKE股份公司 | 2023-10-31 | — | — | CN | disclosed |