Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA12 | O43570 | 1/20 | 0.51 |
| ▸ | CA9 | Q16790 | 1/20 | 0.51 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.49 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.48 |
| ▸ | GSK3B | P49841 | 1/20 | 0.46 |
| ▸ | MAPT | P10636 | 2/20 | 0.45 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.45 |
| ▸ | RAB9A | P51151 | 1/20 | 0.45 |
| ▸ | POLB | P06746 | 2/20 | 0.44 |
| ▸ | MEN1 | O00255 | 3/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.44 |
| ▸ | TSHR | P16473 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL30226990 | 0.83 | CA12 (0.51) | CA12CA9ALDH1A1NPSR1GSK3B | |
| SCHEMBL30226782 | 0.83 | CA12 (0.51) | CA12CA9ALDH1A1NPSR1GSK3B | |
| SCHEMBL22216369 | 0.83 | ALDH1A1 (0.53) | CA12CA9ALDH1A1NPSR1GSK3B | |
| SCHEMBL9659771 | 0.83 | CA12 (0.51) | CA12CA9ALDH1A1NPSR1GSK3B | |
| SCHEMBL12934074 | 0.83 | CA12 (0.51) | CA12CA9ALDH1A1NPSR1GSK3B | |
| SCHEMBL1273992 | 0.83 | CA12 (0.51) | CA12CA9ALDH1A1NPSR1GSK3B | |
| SCHEMBL22216426 | 0.83 | CA12 (0.51) | CA12CA9ALDH1A1NPSR1GSK3B | |
| SCHEMBL1273994 | 0.83 | CA12 (0.51) | CA12CA9ALDH1A1NPSR1GSK3B | |
| Hydrochloric Acid SCHEMBL21815189 | 0.82 | CA12 (0.50) | CA12CA9ALDH1A1NPSR1GSK3B | |
| Hydrochloric Acid SCHEMBL21815187 | 0.82 | CA12 (0.50) | CA12CA9ALDH1A1NPSR1GSK3B |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3892621-A1 | HALOALLYLAMINE COMPOUNDS AND APPLICATION THEREOF | Nanjing Transthera Biosciences Co., Ltd. (CN) | 2021-10-13 | — | — | EP | disclosed |
| WO-2020143763-A1 | HALOALLYLAMINE COMPOUNDS AND APPLICATION THEREOF | 南京药捷安康生物科技有限公司 | 2020-07-16 | — | — | WO | disclosed |