Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA12 | O43570 | 2/20 | 0.48 |
| ▸ | CA2 | P00918 | 2/20 | 0.48 |
| ▸ | CA7 | P43166 | 2/20 | 0.48 |
| ▸ | CA9 | Q16790 | 2/20 | 0.48 |
| ▸ | CA14 | Q9ULX7 | 2/20 | 0.48 |
| ▸ | CA3 | P07451 | 1/20 | 0.48 |
| ▸ | CA6 | P23280 | 1/20 | 0.48 |
| ▸ | CA5A | P35218 | 1/20 | 0.48 |
| ▸ | CA5B | Q9Y2D0 | 1/20 | 0.48 |
| ▸ | KDM4E | B2RXH2 | 8/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 7/20 | 0.43 |
| ▸ | MAPT | P10636 | 3/20 | 0.43 |
| ▸ | HPGD | P15428 | 3/20 | 0.43 |
| ▸ | GAA | P10253 | 3/20 | 0.43 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.43 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.43 |
| ▸ | TSHR | P16473 | 1/20 | 0.43 |
| ▸ | CA1 | P00915 | 1/20 | 0.40 |
| ▸ | PDK2 | Q15119 | 1/20 | 0.40 |
| ▸ | PDK4 | Q16654 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL29244607 | 0.86 | CA12 (0.49) | CA12CA2CA7CA9CA14 | |
| SCHEMBL20556295 | 0.80 | PPARA (0.53) | CYP4A11CYP4F2 | |
| SCHEMBL6477497 | 0.80 | CA12 (0.55) | CA12CA2CA7CA9CA14 | |
| SCHEMBL522653 | 0.79 | CA12 (0.51) | CA12CA2CA7CA9CA14 | |
| SCHEMBL2241827 | 0.79 | CA12 (0.61) | CA12CA2CA7CA9CA14 | |
| SCHEMBL12353583 | 0.79 | NR4A2 (0.46) | CA12CA2CA7CA9CA14 | |
| SCHEMBL19136407 | 0.78 | NR4A2 (0.48) | CA12CA2CA7CA9CA14 | |
| SCHEMBL14747762 | 0.78 | KDM4E (0.51) | CA12CA2CA7CA9CA14 | |
| SCHEMBL1100762 | 0.77 | CA12 (0.62) | CA12CA2CA7CA9CA14 | |
| SCHEMBL498143 | 0.77 | CA12 (0.52) | CA12CA2CA7CA9CA14 |
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-118239926-A | TLR7 and 8 inhibitors, preparation method and application thereof | 上海深势唯思科技有限责任公司 | 2024-06-25 | — | — | CN | disclosed |