Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TAAR1 | Q96RJ0 | 3/20 | 0.40 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.40 |
| ▸ | PARP10 | Q53GL7 | 1/20 | 0.39 |
| ▸ | PARP11 | Q9NR21 | 1/20 | 0.39 |
| ▸ | NOTUM | Q6P988 | 1/20 | 0.35 |
| ▸ | CYP17A1 | P05093 | 1/20 | 0.34 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.34 |
| ▸ | CYP11B1 | P15538 | 1/20 | 0.34 |
| ▸ | CYP11B2 | P19099 | 1/20 | 0.34 |
| ▸ | PDK2 | Q15119 | 1/20 | 0.33 |
| ▸ | HTR1A | P08908 | 1/20 | 0.33 |
| ▸ | HTR7 | P34969 | 1/20 | 0.33 |
| ▸ | PGR | P06401 | 3/20 | 0.33 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.33 |
| ▸ | PIK3CD | O00329 | 1/20 | 0.32 |
| ▸ | PIK3CB | P42338 | 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 | |
|---|---|---|---|---|
| SCHEMBL24068820 | 0.91 | HTR1A (0.32) | HTR1AHTR7PIK3CDPIK3CB | |
| SCHEMBL24068743 | 0.88 | HTR7 (0.35) | HTR1AHTR7 | |
| SCHEMBL24068994 | 0.87 | PRKAB2 (0.34) | CYP17A1CYP3A4CYP11B1CYP11B2 | |
| SCHEMBL24069049 | 0.82 | L3MBTL1 (0.33) | NOTUMPGRPTPN1 | |
| SCHEMBL24068761 | 0.82 | ESR1 (0.37) | ESR2CYP17A1CYP11B1CYP11B2 | |
| SCHEMBL24069035 | 0.81 | PRKAB2 (0.38) | — | |
| SCHEMBL24069056 | 0.81 | CD274 (0.42) | NOTUMHTR1AHTR7 | |
| SCHEMBL24068881 | 0.80 | DRD2 (0.43) | — | |
| SCHEMBL24068783 | 0.79 | KDR (0.33) | NOTUMHTR7 | |
| SCHEMBL24068864 | 0.79 | HTR1A (0.35) | NOTUMHTR1AHTR7PIK3CD |
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-2021238587-A1 | MICROMOLECULAR OXATHIAZINE DERIVATIVE AND USE THEREOF | 四川大学华西医院 | 2021-12-02 | — | — | WO | disclosed |