Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA12 | O43570 | 4/20 | 0.49 |
| ▸ | CA1 | P00915 | 4/20 | 0.49 |
| ▸ | CA2 | P00918 | 4/20 | 0.49 |
| ▸ | CA9 | Q16790 | 4/20 | 0.49 |
| ▸ | CA14 | Q9ULX7 | 4/20 | 0.49 |
| ▸ | EGFR | P00533 | 1/20 | 0.44 |
| ▸ | GABRA1 | P14867 | 1/20 | 0.41 |
| ▸ | GABRG2 | P18507 | 1/20 | 0.41 |
| ▸ | GABRB3 | P28472 | 1/20 | 0.41 |
| ▸ | GABRA3 | P34903 | 1/20 | 0.41 |
| ▸ | GABRA2 | P47869 | 1/20 | 0.41 |
| ▸ | CA7 | P43166 | 3/20 | 0.41 |
| ▸ | CNR2 | P34972 | 5/20 | 0.40 |
| ▸ | CNR1 | P21554 | 3/20 | 0.40 |
| ▸ | XDH | P47989 | 1/20 | 0.40 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.40 |
| ▸ | HSD17B1 | P14061 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.38 |
| ▸ | SRD5A1 | P18405 | 1/20 | 0.38 |
| ▸ | MAPT | P10636 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL29914657 | 0.86 | EGFR (0.56) | CA12CA1CA2CA9CA14 | |
| SCHEMBL1853389 | 0.82 | CA12 (0.63) | CA12CA1CA2CA9CA14 | |
| SCHEMBL318720 | 0.80 | TDP1 (0.59) | CA12CA1CA2CA9CA14 | |
| SCHEMBL17184949 | 0.79 | CA12 (0.47) | CA12CA1CA2CA9CA14 | |
| SCHEMBL39054 | 0.79 | CA12 (0.63) | CA12CA1CA2CA9CA14 | |
| SCHEMBL1854635 | 0.77 | DHODH (0.48) | CA12CA1CA2CA9CA14 | |
| SCHEMBL1132317 | 0.77 | CNR1 (0.44) | CA12CA1CA2CA9CA14 | |
| SCHEMBL25337346 | 0.76 | CA12 (0.47) | CA12CA1CA2CA9CA14 | |
| SCHEMBL1570461 | 0.76 | CA12 (0.47) | CA12CA1CA2CA9CA14 | |
| SCHEMBL31587815 | 0.75 | CA12 (0.44) | CA12CA1CA2CA9CA14 |
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-111094300-B | Benzo-heteroaryl derivative, preparation method and application thereof in medicine | 江苏恒瑞医药股份有限公司 | 2022-09-16 | — | — | CN | disclosed |