Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 3/20 | 0.50 |
| ▸ | SLC7A5 | Q01650 | 1/20 | 0.50 |
| ▸ | ITGB2 | P05107 | 3/20 | 0.49 |
| ▸ | ICAM1 | P05362 | 3/20 | 0.49 |
| ▸ | ITGAL | P20701 | 3/20 | 0.49 |
| ▸ | CPB2 | Q96IY4 | 1/20 | 0.47 |
| ▸ | SLC6A5 | Q9Y345 | 1/20 | 0.47 |
| ▸ | CA1 | P00915 | 3/20 | 0.46 |
| ▸ | CA2 | P00918 | 3/20 | 0.46 |
| ▸ | SLC15A2 | Q16348 | 1/20 | 0.45 |
| ▸ | GGT1 | P19440 | 1/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.43 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.43 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.43 |
| ▸ | GABRA1 | P14867 | 1/20 | 0.42 |
| ▸ | TSHR | P16473 | 1/20 | 0.42 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.42 |
| ▸ | GABRR1 | P24046 | 1/20 | 0.42 |
| ▸ | GABRR2 | P28476 | 1/20 | 0.42 |
| ▸ | GABRA5 | P31644 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL4536009 | 0.86 | ITGB2 (0.57) | CYP3A4SLC7A5ITGB2ICAM1ITGAL | |
| SCHEMBL24106906 | 0.86 | ITGB2 (0.57) | CYP3A4SLC7A5ITGB2ICAM1ITGAL | |
| Hydrochloric Acid SCHEMBL28591529 | 0.85 | ITGB2 (0.56) | CYP3A4SLC7A5ITGB2ICAM1ITGAL | |
| SCHEMBL28274103 | 0.80 | ITGB2 (0.58) | CYP3A4SLC7A5ITGB2ICAM1ITGAL | |
| SCHEMBL28093810 | 0.79 | CYP3A4 (0.56) | CYP3A4SLC7A5ITGB2ICAM1ITGAL | |
| SCHEMBL971548 | 0.78 | CYP3A4 (0.52) | CYP3A4SLC7A5ITGB2ICAM1ITGAL | |
| SCHEMBL19951587 | 0.77 | ITGB2 (0.51) | CYP3A4SLC7A5ITGB2ICAM1ITGAL | |
| SCHEMBL3378643 | 0.77 | CYP3A4 (0.61) | CYP3A4SLC7A5ITGB2ICAM1ITGAL | |
| SCHEMBL28035475 | 0.76 | CYP3A4 (0.56) | CYP3A4SLC7A5ITGB2ICAM1ITGAL | |
| SCHEMBL17846596 | 0.76 | CYP3A4 (0.64) | CYP3A4SLC7A5ITGB2ICAM1ITGAL |
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-114099442-B | Multifunctional microsphere preparation for tumor chemoradiotherapy embolism treatment and image and preparation method thereof | 复旦大学 | 2024-01-30 | — | — | CN | disclosed |