Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA4 | P22748 | 3/20 | 0.36 |
| ▸ | CA1 | P00915 | 2/20 | 0.36 |
| ▸ | CA2 | P00918 | 2/20 | 0.36 |
| ▸ | CA7 | P43166 | 2/20 | 0.36 |
| ▸ | CA12 | O43570 | 1/20 | 0.36 |
| ▸ | MT-CO2 | P00403 | 1/20 | 0.36 |
| ▸ | LMNA | P02545 | 1/20 | 0.36 |
| ▸ | CA3 | P07451 | 1/20 | 0.36 |
| ▸ | ADRB2 | P07550 | 1/20 | 0.36 |
| ▸ | ADRB1 | P08588 | 1/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.36 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.36 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.36 |
| ▸ | ADRA2B | P18089 | 1/20 | 0.36 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.36 |
| ▸ | CA6 | P23280 | 1/20 | 0.36 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.36 |
| ▸ | PDE4A | P27815 | 1/20 | 0.36 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.36 |
| ▸ | CA5A | P35218 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL30295930 | 0.92 | CA1 (0.34) | CA4CA1CA2CA7CA12 | |
| SCHEMBL30296014 | 0.88 | EDNRB (0.36) | CA4CA1CA2CA7CA12 | |
| SCHEMBL30296099 | 0.85 | NR3C1 (0.38) | LMNAFFAR1NPC1SCN9ASCN5A | |
| SCHEMBL7850632 | 0.79 | PTGS2 (0.50) | CA4CA1CA2CA7CA12 | |
| SCHEMBL30295791 | 0.79 | PTGS2 (0.50) | CA4CA1CA2CA7CA12 | |
| SCHEMBL29280982 | 0.75 | CCNT1 (0.41) | LMNA | |
| SCHEMBL27968617 | 0.72 | CA2 (0.46) | CA4CA1CA2CA7CA12 | |
| SCHEMBL29281020 | 0.71 | TP53 (0.32) | KCNN4ATR | |
| SCHEMBL30296109 | 0.70 | EDNRA (0.48) | — | |
| SCHEMBL7850630 | 0.70 | CA2 (0.44) | CA4CA1CA2CA7CA12 |
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 |