Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.43 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.43 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.43 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.41 |
| ▸ | PRCP | P42785 | 1/20 | 0.39 |
| ▸ | TSHR | P16473 | 1/20 | 0.38 |
| ▸ | NR4A1 | P22736 | 1/20 | 0.38 |
| ▸ | NR4A2 | P43354 | 1/20 | 0.38 |
| ▸ | NR4A3 | Q92570 | 1/20 | 0.38 |
| ▸ | GFER | P55789 | 1/20 | 0.38 |
| ▸ | CD44 | P16070 | 1/20 | 0.38 |
| ▸ | PNMT | P11086 | 1/20 | 0.38 |
| ▸ | KEAP1 | Q14145 | 1/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.38 |
| ▸ | HPGD | P15428 | 2/20 | 0.38 |
| ▸ | AURKA | O14965 | 1/20 | 0.38 |
| ▸ | CA12 | O43570 | 1/20 | 0.38 |
| ▸ | CA1 | P00915 | 1/20 | 0.38 |
| ▸ | CA2 | P00918 | 1/20 | 0.38 |
| ▸ | HMGB1 | P09429 | 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 | |
|---|---|---|---|---|
| SCHEMBL1817879 | 1.00 | ALDH1A1 (0.43) | ALDH1A1ALOX15TRPA1HSP90AA1PRCP | |
| SCHEMBL29801575 | 0.85 | PNMT (0.56) | PRCPCD44PNMT | |
| SCHEMBL5087669 | 0.85 | PNMT (0.56) | PRCPCD44PNMT | |
| SCHEMBL30744757 | 0.84 | CD44 (0.54) | ALDH1A1ALOX15TRPA1PRCPTSHR | |
| Hydrochloric Acid SCHEMBL17822916 | 0.84 | PNMT (0.54) | PRCPCD44PNMT | |
| SCHEMBL2329950 | 0.84 | CD44 (0.54) | ALDH1A1ALOX15TRPA1PRCPTSHR | |
| SCHEMBL2630741 | 0.83 | AURKA (0.51) | ALDH1A1ALOX15TRPA1TSHRCD44 | |
| SCHEMBL29945392 | 0.83 | AURKA (0.51) | ALDH1A1ALOX15TRPA1TSHRCD44 | |
| Hydrochloric Acid SCHEMBL30040239 | 0.81 | AURKA (0.50) | ALDH1A1ALOX15TRPA1TSHRCD44 | |
| SCHEMBL1871232 | 0.80 | CD44 (0.35) | TRPA1CD44PNMTAURKA |
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-110357876-B | Azabicyclooctane derivative and preparation method and application thereof | 浙江海正药业股份有限公司 | 2022-06-28 | — | — | CN | disclosed |