Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CD44 | P16070 | 1/20 | 0.48 |
| ▸ | CYP3A4 | P08684 | 4/20 | 0.44 |
| ▸ | TDP1 | Q9NUW8 | 4/20 | 0.44 |
| ▸ | TSHR | P16473 | 3/20 | 0.42 |
| ▸ | PIK3CA | P42336 | 1/20 | 0.42 |
| ▸ | MAPT | P10636 | 1/20 | 0.37 |
| ▸ | DPP4 | P27487 | 1/20 | 0.37 |
| ▸ | HPGD | P15428 | 3/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.35 |
| ▸ | NOS3 | P29474 | 1/20 | 0.35 |
| ▸ | NOS1 | P29475 | 1/20 | 0.35 |
| ▸ | NOS2 | P35228 | 1/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.34 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.33 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.33 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.33 |
| ▸ | CA1 | P00915 | 1/20 | 0.32 |
| ▸ | CA2 | P00918 | 1/20 | 0.32 |
| ▸ | CA7 | P43166 | 1/20 | 0.32 |
| ▸ | CA9 | Q16790 | 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 | |
|---|---|---|---|---|
| SCHEMBL13832186 | 1.00 | CD44 (0.48) | CD44CYP3A4TDP1TSHRPIK3CA | |
| SCHEMBL21621579 | 0.84 | HPGD (0.43) | CD44CYP3A4TDP1TSHRMAPT | |
| SCHEMBL28677961 | 0.78 | CD44 (0.43) | CD44CYP3A4TDP1TSHRPIK3CA | |
| SCHEMBL24596872 | 0.77 | HDAC1 (0.37) | CD44CYP3A4TDP1TSHRPIK3CA | |
| SCHEMBL24596966 | 0.77 | ALDH1A1 (0.48) | CD44CYP3A4TDP1TSHRPIK3CA | |
| SCHEMBL22942140 | 0.74 | CYP3A4 (0.34) | CYP3A4TDP1TSHRPIK3CAMAPT | |
| SCHEMBL29876945 | 0.74 | CYP3A4 (0.34) | CYP3A4TDP1TSHRPIK3CAMAPT | |
| SCHEMBL24596831 | 0.74 | ALDH1A1 (0.52) | CYP3A4TDP1TSHRMAPTHPGD | |
| SCHEMBL1629819 | 0.74 | CD44 (0.39) | CD44CYP3A4TDP1TSHRPIK3CA | |
| SCHEMBL28662475 | 0.74 | CD44 (0.39) | CD44CYP3A4TDP1TSHRPIK3CA |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-115716850-B | Crystal form, preparation method and application of aryl phosphorus oxide compound | 成都地奥九泓制药厂 | 2024-12-13 | — | — | CN | disclosed |
| WO-2023025164-A1 | CRYSTAL FORMS, PREPARATION METHOD AND APPLICATION OF ARYL PHOSPHINE OXIDE COMPOUND | 成都地奥九泓制药厂 | 2023-03-02 | — | — | WO | disclosed |