Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | APLNR | P35414 | 2/20 | 0.35 |
| ▸ | P2RX3 | P56373 | 1/20 | 0.32 |
| ▸ | P2RX2 | Q9UBL9 | 1/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.32 |
| ▸ | ADRA2B | P18089 | 1/20 | 0.31 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.31 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.31 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.30 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.30 |
| ▸ | CASP1 | P29466 | 1/20 | 0.30 |
| ▸ | CASP7 | P55210 | 1/20 | 0.30 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL7747940 | 0.81 | APLNR (0.32) | APLNRALDH1A1 | |
| SCHEMBL26674584 | 0.79 | APLNR (0.37) | APLNRALDH1A1ADRA2BCYP3A4ALOX15 | |
| SCHEMBL26126761 | 0.79 | CYP1A2 (0.33) | ALDH1A1CYP3A4 | |
| SCHEMBL10958981 | 0.77 | LMNA (0.38) | APLNRALDH1A1ADRA2BTDP1SMN1; SMN2 | |
| SCHEMBL10958595 | 0.76 | GABRA1 (0.33) | APLNRADRA2B | |
| SCHEMBL4801879 | 0.74 | ALDH1A1 (0.40) | ALDH1A1PTGS1TDP1ALOX15SMN1; SMN2 | |
| SCHEMBL7754791 | 0.74 | APLNR (0.33) | APLNRADRA2B | |
| SCHEMBL9185287 | 0.74 | ADRA2B (0.38) | ALDH1A1ADRA2B | |
| SCHEMBL6648224 | 0.73 | ALDH1A1 (0.49) | ALDH1A1ADRA2BTDP1CYP3A4SMN1; SMN2 | |
| SCHEMBL31598591 | 0.73 | NQO2 (0.41) | ALDH1A1TDP1CASP1CASP7SMN1; SMN2 |
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-113968861-B | Compound with PI3K delta/BTK double-target-point activity and preparation method and application thereof | 杭州医学院 | 2022-10-21 | — | — | CN | disclosed |
| CN-113968861-A | Compound with PI3K delta/BTK double-target-point activity and preparation method and application thereof | 杭州医学院 | 2022-01-25 | — | — | CN | disclosed |