Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA1 | P00915 | 7/20 | 0.38 |
| ▸ | CA2 | P00918 | 7/20 | 0.38 |
| ▸ | CA9 | Q16790 | 6/20 | 0.38 |
| ▸ | CA12 | O43570 | 4/20 | 0.38 |
| ▸ | PTGES2 | Q9H7Z7 | 2/20 | 0.35 |
| ▸ | CA4 | P22748 | 3/20 | 0.35 |
| ▸ | CA6 | P23280 | 3/20 | 0.35 |
| ▸ | CA5A | P35218 | 3/20 | 0.35 |
| ▸ | CA7 | P43166 | 2/20 | 0.35 |
| ▸ | CA14 | Q9ULX7 | 2/20 | 0.35 |
| ▸ | CA5B | Q9Y2D0 | 2/20 | 0.35 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.35 |
| ▸ | STAT3 | P40763 | 1/20 | 0.35 |
| ▸ | MMP1 | P03956 | 1/20 | 0.35 |
| ▸ | MMP2 | P08253 | 1/20 | 0.35 |
| ▸ | MMP3 | P08254 | 1/20 | 0.35 |
| ▸ | MMP9 | P14780 | 1/20 | 0.35 |
| ▸ | MMP8 | P22894 | 1/20 | 0.35 |
| ▸ | MMP12 | P39900 | 1/20 | 0.35 |
| ▸ | MMP13 | P45452 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL6428040 | 0.85 | CA2 (0.44) | CA1CA2CA9CA12PTGES2 | |
| SCHEMBL30296024 | 0.79 | CASP1 (0.34) | CA9CA12MMP1MMP2MMP3 | |
| SCHEMBL30296234 | 0.79 | STAT3 (0.38) | PTGES2CYP2C9STAT3LMNACYP3A4 | |
| SCHEMBL30295970 | 0.78 | CA1 (0.38) | CA1CA2CA9CA12PTGES2 | |
| SCHEMBL4279787 | 0.78 | CA1 (0.38) | CA1CA2CA9CA12PTGES2 | |
| SCHEMBL2874386 | 0.76 | MMP2 (0.39) | MMP1MMP2MMP3MMP9MMP8 | |
| SCHEMBL3853253 | 0.76 | CA1 (0.50) | CA1CA2CA9CA12PTGES2 | |
| SCHEMBL27895889 | 0.76 | CA2 (0.52) | CA1CA2CA9CA12PTGES2 | |
| SCHEMBL4759798 | 0.73 | CASP1 (0.48) | CA1CA2CA9CA12PTGES2 | |
| SCHEMBL11257470 | 0.71 | CA1 (0.40) | CA1CA2CA9CA12PTGES2 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2023025277-A1 | AROMATIC RING-CONTAINING BIOLOGICAL ANTAGONIST, AND PREPARATION METHOD THEREFOR AND USE THEREOF | 上海翰森生物医药科技有限公司 | 2023-03-02 | — | — | WO | disclosed |