Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA2 | P00918 | 6/20 | 0.40 |
| ▸ | CA1 | P00915 | 4/20 | 0.39 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.38 |
| ▸ | MMP1 | P03956 | 1/20 | 0.33 |
| ▸ | MMP2 | P08253 | 1/20 | 0.33 |
| ▸ | MMP3 | P08254 | 1/20 | 0.33 |
| ▸ | MMP7 | P09237 | 1/20 | 0.33 |
| ▸ | MMP9 | P14780 | 1/20 | 0.33 |
| ▸ | MMP8 | P22894 | 1/20 | 0.33 |
| ▸ | MMP14 | P50281 | 1/20 | 0.33 |
| ▸ | ADAM17 | P78536 | 1/20 | 0.33 |
| ▸ | HTR6 | P50406 | 1/20 | 0.33 |
| ▸ | ANPEP | P15144 | 4/20 | 0.33 |
| ▸ | PLAU | P00749 | 1/20 | 0.33 |
| ▸ | CA5A | P35218 | 1/20 | 0.31 |
| ▸ | CA9 | Q16790 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL9722865 | 0.78 | SIGMAR1 (0.42) | SIGMAR1HTR6ANPEPPLAU | |
| SCHEMBL8368477 | 0.73 | SIGMAR1 (0.42) | SIGMAR1 | |
| SCHEMBL13293131 | 0.72 | CA1 (0.53) | CA2CA1HTR6 | |
| SCHEMBL31079619 | 0.71 | SIGMAR1 (0.39) | CA2CA1SIGMAR1HTR6ANPEP | |
| SCHEMBL3070 | 0.71 | SIGMAR1 (0.39) | CA2CA1SIGMAR1HTR6ANPEP | |
| SCHEMBL9730098 | 0.71 | ALOX5 (0.40) | SIGMAR1 | |
| Formamide SCHEMBL9730102 | 0.71 | SIGMAR1 (0.35) | CA2CA1SIGMAR1 | |
| SCHEMBL6721448 | 0.70 | SIGMAR1 (0.43) | SIGMAR1ANPEPPLAU | |
| SCHEMBL28012406 | 0.69 | CA1 (0.53) | CA2CA1SIGMAR1ANPEPPLAU | |
| SCHEMBL7587595 | 0.69 | SIGMAR1 (0.38) | SIGMAR1 |
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-113968838-B | Thiobenzopyran compound and application thereof in treatment of rheumatoid arthritis | 华创合成制药股份有限公司 | 2024-04-02 | — | — | CN | disclosed |