Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | LMNA | P02545 | 1/20 | 0.45 |
| ▸ | MAPT | P10636 | 1/20 | 0.45 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.45 |
| ▸ | GFER | P55789 | 1/20 | 0.45 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.45 |
| ▸ | BTK | Q06187 | 2/20 | 0.42 |
| ▸ | ROCK1 | Q13464 | 7/20 | 0.42 |
| ▸ | KLKB1 | P03952 | 2/20 | 0.41 |
| ▸ | PTPN1 | P18031 | 2/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.39 |
| ▸ | NPC1 | O15118 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.39 |
| ▸ | RAB9A | P51151 | 1/20 | 0.39 |
| ▸ | HTT | P42858 | 1/20 | 0.39 |
| ▸ | GAA | P10253 | 1/20 | 0.39 |
| ▸ | EGLN1 | Q9GZT9 | 1/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.38 |
| ▸ | ALKBH1 | Q13686 | 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 | |
|---|---|---|---|---|
| SCHEMBL22216258 | 0.90 | CYP2C19 (0.46) | LMNAMAPTCYP2C19GFERNPSR1 | |
| SCHEMBL22216188 | 0.89 | LMNA (0.46) | LMNAMAPTCYP2C19GFERNPSR1 | |
| SCHEMBL23907278 | 0.89 | LMNA (0.46) | LMNAMAPTCYP2C19GFERNPSR1 | |
| SCHEMBL23907276 | 0.84 | RAB9A (0.43) | LMNANPC1ALDH1A1RAB9AHTT | |
| SCHEMBL22216335 | 0.82 | KLKB1 (0.37) | LMNAMAPTCYP2C19GFERNPSR1 | |
| SCHEMBL23907231 | 0.81 | L3MBTL1 (0.49) | EGLN1 | |
| SCHEMBL23907233 | 0.81 | L3MBTL1 (0.49) | EGLN1 | |
| SCHEMBL22216339 | 0.80 | KLKB1 (0.41) | LMNAMAPTCYP2C19GFERNPSR1 | |
| SCHEMBL22216397 | 0.79 | AOC3 (0.51) | LMNAMAPTCYP2C19GFERNPSR1 | |
| SCHEMBL22216222 | 0.79 | AKR1B1 (0.42) | PTPN1NPC1ALDH1A1RAB9AHTT |
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 |