Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2C19 | P33261 | 2/20 | 0.46 |
| ▸ | LMNA | P02545 | 1/20 | 0.46 |
| ▸ | MAPT | P10636 | 1/20 | 0.46 |
| ▸ | GFER | P55789 | 1/20 | 0.46 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.46 |
| ▸ | PTPN1 | P18031 | 2/20 | 0.44 |
| ▸ | RAB9A | P51151 | 3/20 | 0.43 |
| ▸ | NPC1 | O15118 | 2/20 | 0.43 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.43 |
| ▸ | PTPN6 | P29350 | 1/20 | 0.43 |
| ▸ | PTPN11 | Q06124 | 1/20 | 0.43 |
| ▸ | ROCK1 | Q13464 | 2/20 | 0.42 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.41 |
| ▸ | GAA | P10253 | 1/20 | 0.41 |
| ▸ | CXCR2 | P25025 | 3/20 | 0.41 |
| ▸ | CXCR1 | P25024 | 2/20 | 0.41 |
| ▸ | TAS2R8 | Q9NYW2 | 1/20 | 0.40 |
| ▸ | MEN1 | O00255 | 1/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.40 |
| ▸ | MITF | O75030 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL22216188 | 0.90 | LMNA (0.46) | CYP2C19LMNAMAPTGFERNPSR1 | |
| SCHEMBL23907278 | 0.90 | LMNA (0.46) | CYP2C19LMNAMAPTGFERNPSR1 | |
| SCHEMBL22216259 | 0.90 | LMNA (0.45) | CYP2C19LMNAMAPTGFERNPSR1 | |
| SCHEMBL22216335 | 0.81 | KLKB1 (0.37) | CYP2C19LMNAMAPTGFERNPSR1 | |
| SCHEMBL23907276 | 0.79 | RAB9A (0.43) | LMNARAB9ANPC1SMN1; SMN2GAA | |
| SCHEMBL22216225 | 0.79 | RAB9A (0.43) | PTPN1RAB9ANPC1SMN1; SMN2CXCR2 | |
| SCHEMBL22216339 | 0.79 | KLKB1 (0.41) | CYP2C19LMNAMAPTGFERNPSR1 | |
| SCHEMBL22216318 | 0.79 | LMNA (0.51) | CYP2C19LMNAMAPTGFERNPSR1 | |
| SCHEMBL22216245 | 0.78 | HIF1A (0.49) | RAB9ANPC1SMN1; SMN2GAAMEN1 | |
| SCHEMBL22216397 | 0.78 | AOC3 (0.51) | CYP2C19LMNAMAPTGFERNPSR1 |
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 |