Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | EGFR | P00533 | 2/20 | 0.56 |
| ▸ | CNR2 | P34972 | 1/20 | 0.48 |
| ▸ | CA12 | O43570 | 2/20 | 0.47 |
| ▸ | CA1 | P00915 | 2/20 | 0.47 |
| ▸ | CA2 | P00918 | 2/20 | 0.47 |
| ▸ | CA9 | Q16790 | 2/20 | 0.47 |
| ▸ | CA14 | Q9ULX7 | 2/20 | 0.47 |
| ▸ | ABCG2 | Q9UNQ0 | 1/20 | 0.45 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.44 |
| ▸ | SLC7A5 | Q01650 | 1/20 | 0.44 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.44 |
| ▸ | GABRA1 | P14867 | 1/20 | 0.42 |
| ▸ | GABRG2 | P18507 | 1/20 | 0.42 |
| ▸ | GABRB3 | P28472 | 1/20 | 0.42 |
| ▸ | GABRA3 | P34903 | 1/20 | 0.42 |
| ▸ | GABRA2 | P47869 | 1/20 | 0.42 |
| ▸ | GRM6 | O15303 | 1/20 | 0.42 |
| ▸ | BACE1 | P56817 | 1/20 | 0.41 |
| ▸ | MTNR1A | P48039 | 1/20 | 0.41 |
| ▸ | MTNR1B | P49286 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| Hydrogen Sulfide SCHEMBL27727971 | 0.88 | PTGS2 (0.53) | EGFRCA12CA1CA2CA9 | |
| SCHEMBL29914729 | 0.86 | CA12 (0.49) | EGFRCNR2CA12CA1CA2 | |
| SCHEMBL14832783 | 0.82 | EGFR (0.79) | EGFRCNR2CA12CA1CA2 | |
| Hydrogen Sulfide SCHEMBL27727970 | 0.81 | CA12 (0.53) | EGFRCA12CA1CA2CA9 | |
| SCHEMBL6355405 | 0.80 | CA12 (0.63) | EGFRCA12CA1CA2CA9 | |
| SCHEMBL39054 | 0.80 | CA12 (0.63) | CA12CA1CA2CA9CA14 | |
| Hydrogen Sulfide SCHEMBL27903844 | 0.79 | PTGS2 (0.52) | EGFRPTGS2GABRA1GABRG2GABRB3 | |
| SCHEMBL9447507 | 0.79 | EGFR (0.43) | EGFRABCG2ALDH1A1TDP1 | |
| SCHEMBL1410040 | 0.79 | KMO (0.55) | CA12CA1CA2CA9ABCG2 | |
| SCHEMBL9488109 | 0.78 | CA12 (0.66) | EGFRCNR2CA12CA1CA2 |
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 |