Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA12 | O43570 | 2/20 | 0.59 |
| ▸ | CA9 | Q16790 | 2/20 | 0.59 |
| ▸ | CA1 | P00915 | 1/20 | 0.59 |
| ▸ | CA2 | P00918 | 1/20 | 0.59 |
| ▸ | ERN1 | O75460 | 3/20 | 0.57 |
| ▸ | GABRG2 | P18507 | 1/20 | 0.55 |
| ▸ | GABRB3 | P28472 | 1/20 | 0.55 |
| ▸ | GABRA5 | P31644 | 1/20 | 0.55 |
| ▸ | GABRA3 | P34903 | 1/20 | 0.55 |
| ▸ | GPR17 | Q13304 | 1/20 | 0.55 |
| ▸ | PLAU | P00749 | 2/20 | 0.54 |
| ▸ | CDK8 | P49336 | 1/20 | 0.54 |
| ▸ | TSHR | P16473 | 1/20 | 0.52 |
| ▸ | LOXL2 | Q9Y4K0 | 1/20 | 0.51 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.51 |
| ▸ | CYP4F2 | P78329 | 1/20 | 0.50 |
| ▸ | CYP4A11 | Q02928 | 1/20 | 0.50 |
| ▸ | DHODH | Q02127 | 1/20 | 0.50 |
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 | |
|---|---|---|---|---|
| SCHEMBL7719381 | 1.00 | CA12 (0.59) | CA12CA9CA1CA2ERN1 | |
| SCHEMBL8442658 | 0.91 | CA12 (0.57) | CA12CA9CA1CA2ERN1 | |
| SCHEMBL67941 | 0.91 | CA12 (0.68) | CA12CA9CA1CA2ERN1 | |
| SCHEMBL40429 | 0.89 | GPR17 (0.65) | GPR17TSHRLOXL2CYP4F2CYP4A11 | |
| SCHEMBL27715902 | 0.89 | CA12 (0.71) | CA12CA9CA1CA2ERN1 | |
| SCHEMBL29534771 | 0.89 | GPR17 (0.65) | GPR17TSHRLOXL2CYP4F2CYP4A11 | |
| SCHEMBL28289702 | 0.89 | GPR17 (0.65) | GPR17TSHRLOXL2CYP4F2CYP4A11 | |
| SCHEMBL514 | 0.88 | CA12 (0.66) | CA12CA9CA1CA2ERN1 | |
| SCHEMBL31298127 | 0.88 | EGFR (0.60) | CA12CA9CA1CA2ERN1 | |
| SCHEMBL6138470 | 0.88 | EGFR (0.60) | CA12CA9CA1CA2ERN1 |
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-109311813-B | Palladium-catalyzed meta-C-H functionalized universal ligands | 斯克利普斯研究院 | 2023-02-28 | — | — | CN | disclosed |