Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | EDNRB | P24530 | 1/20 | 0.36 |
| ▸ | EDNRA | P25101 | 1/20 | 0.36 |
| ▸ | CA1 | P00915 | 2/20 | 0.34 |
| ▸ | CA2 | P00918 | 2/20 | 0.34 |
| ▸ | CA4 | P22748 | 2/20 | 0.34 |
| ▸ | CA7 | P43166 | 2/20 | 0.34 |
| ▸ | LMNA | P02545 | 2/20 | 0.34 |
| ▸ | CA12 | O43570 | 1/20 | 0.34 |
| ▸ | MT-CO2 | P00403 | 1/20 | 0.34 |
| ▸ | CA3 | P07451 | 1/20 | 0.34 |
| ▸ | ADRB2 | P07550 | 1/20 | 0.34 |
| ▸ | ADRB1 | P08588 | 1/20 | 0.34 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.34 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.34 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.34 |
| ▸ | ADRA2B | P18089 | 1/20 | 0.34 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.34 |
| ▸ | CA6 | P23280 | 1/20 | 0.34 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.34 |
| ▸ | PDE4A | P27815 | 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 | |
|---|---|---|---|---|
| SCHEMBL30296173 | 0.88 | CA4 (0.36) | CA1CA2CA4CA7LMNA | |
| SCHEMBL30295930 | 0.85 | CA1 (0.34) | CA1CA2CA4CA7LMNA | |
| SCHEMBL30295791 | 0.77 | PTGS2 (0.50) | EDNRBEDNRACA1CA2CA4 | |
| SCHEMBL7850632 | 0.77 | PTGS2 (0.50) | EDNRBEDNRACA1CA2CA4 | |
| SCHEMBL29281012 | 0.76 | EDNRA (0.40) | EDNRBEDNRALMNAALDH1A1 | |
| SCHEMBL30296099 | 0.74 | NR3C1 (0.38) | LMNAFFAR1SCN5ASCN9AALDH1A1 | |
| SCHEMBL29280986 | 0.73 | P2RX3 (0.38) | EDNRBEDNRA | |
| SCHEMBL30296201 | 0.72 | EDNRA (0.51) | EDNRBEDNRA | |
| SCHEMBL30295779 | 0.71 | EDNRB (0.38) | EDNRBEDNRACA1CA2CA4 | |
| SCHEMBL27968617 | 0.70 | CA2 (0.46) | EDNRBEDNRACA1CA2CA4 |
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 |