Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA12 | O43570 | 1/20 | 0.41 |
| ▸ | CA1 | P00915 | 1/20 | 0.41 |
| ▸ | CA9 | Q16790 | 1/20 | 0.41 |
| ▸ | F13A1 | P00488 | 2/20 | 0.38 |
| ▸ | TGM2 | P21980 | 2/20 | 0.38 |
| ▸ | TGM1 | P22735 | 2/20 | 0.38 |
| ▸ | SYK | P43405 | 1/20 | 0.38 |
| ▸ | RORC | P51449 | 7/20 | 0.38 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.37 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.37 |
| ▸ | RELA | Q04206 | 1/20 | 0.37 |
| ▸ | PPARG | P37231 | 1/20 | 0.36 |
| ▸ | CCR2 | P41597 | 1/20 | 0.36 |
| ▸ | EGLN2 | Q96KS0 | 2/20 | 0.36 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.35 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.35 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.35 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.35 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.35 |
| ▸ | CYP17A1 | P05093 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL28895299 | 0.88 | CA12 (0.44) | CA12CA1CA9SYKRORC | |
| SCHEMBL16236847 | 0.81 | CA12 (0.48) | CA12CA1CA9SYKRORC | |
| SCHEMBL18106503 | 0.81 | CA12 (0.42) | CA12CA1CA9F13A1TGM2 | |
| SCHEMBL28895300 | 0.79 | CA12 (0.43) | CA12CA1CA9SYKRORC | |
| SCHEMBL28895283 | 0.78 | CA12 (0.42) | CA12CA1CA9SYKRORC | |
| SCHEMBL16302366 | 0.77 | CA12 (0.51) | CA12CA1CA9EGLN2HDAC3 | |
| SCHEMBL28895279 | 0.77 | CA12 (0.41) | CA12CA1CA9SYKRORC | |
| SCHEMBL12225074 | 0.76 | CA12 (0.54) | CA12CA1CA9SYKCYP17A1 | |
| SCHEMBL28895200 | 0.75 | SYK (0.36) | CA12CA1CA9F13A1TGM2 | |
| SCHEMBL29178873 | 0.75 | EGLN2 (0.42) | CA12CA1CA9SYKRORC |
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-114315805-A | Aromatic ring-fused cyclic lactone thiohydantoin compound and preparation method and application thereof | 中国科学院上海药物研究所 | 2022-04-12 | — | — | CN | disclosed |