Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TBXA2R | P21731 | 8/20 | 0.69 |
| ▸ | CYP2C9 | P11712 | 3/20 | 0.69 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.69 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.69 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.69 |
| ▸ | FBP1 | P09467 | 7/20 | 0.57 |
| ▸ | PTGS1 | P23219 | 2/20 | 0.52 |
| ▸ | PTGS2 | P35354 | 2/20 | 0.52 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.52 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.52 |
| ▸ | LMNA | P02545 | 1/20 | 0.47 |
| ▸ | ALB | P02768 | 1/20 | 0.47 |
| ▸ | TSHR | P16473 | 1/20 | 0.47 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.47 |
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 | |
|---|---|---|---|---|
| SCHEMBL29832825 | 1.00 | TBXA2R (0.69) | TBXA2RCYP2C9KDM4ECYP3A4HIF1A | |
| SCHEMBL5668299 | 0.94 | TBXA2R (0.71) | TBXA2RCYP2C9KDM4ECYP3A4HIF1A | |
| SCHEMBL29833136 | 0.90 | TBXA2R (0.74) | TBXA2RCYP2C9KDM4ECYP3A4HIF1A | |
| SCHEMBL28680996 | 0.90 | TBXA2R (0.74) | TBXA2RCYP2C9KDM4ECYP3A4HIF1A | |
| Torsemide SCHEMBL5434259 | 0.82 | TBXA2R (0.92) | TBXA2RCYP2C9KDM4ECYP3A4HIF1A | |
| SCHEMBL13284096 | 0.82 | TBXA2R (0.81) | TBXA2RCYP2C9KDM4ECYP3A4HIF1A | |
| Torsemide SCHEMBL41184 | 0.82 | TBXA2R (1.00) | TBXA2RCYP2C9KDM4ECYP3A4HIF1A | |
| SCHEMBL32688080 | 0.82 | TBXA2R (0.68) | TBXA2RCYP2C9KDM4ECYP3A4HIF1A | |
| Torsemide SCHEMBL29395363 | 0.82 | TBXA2R (1.00) | TBXA2RCYP2C9KDM4ECYP3A4HIF1A | |
| Torsemide SCHEMBL4015063 | 0.82 | TBXA2R (1.00) | TBXA2RCYP2C9KDM4ECYP3A4HIF1A |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-115010659-A | New impurity reference substance of torasemide and preparation method thereof | 南京正科医药股份有限公司 | 2022-09-06 | — | — | CN | disclosed |
| CN-114989077-A | New impurity reference substance of torasemide and synthetic method thereof | 南京正科医药股份有限公司 | 2022-09-02 | — | — | CN | disclosed |
| CN-113620868-A | Torasemide new impurity and preparation method thereof | 南京恒正药物研究院有限公司 | 2021-11-09 | — | — | CN | disclosed |