Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | POLB | P06746 | 1/20 | 0.53 |
| ▸ | NPC1 | O15118 | 1/20 | 0.45 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.44 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.43 |
| ▸ | MAPT | P10636 | 2/20 | 0.43 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.41 |
| ▸ | MEN1 | O00255 | 3/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.40 |
| ▸ | GAA | P10253 | 2/20 | 0.40 |
| ▸ | GSK3B | P49841 | 1/20 | 0.40 |
| ▸ | CA12 | O43570 | 1/20 | 0.40 |
| ▸ | CA9 | Q16790 | 1/20 | 0.40 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.39 |
| ▸ | RAB9A | P51151 | 1/20 | 0.39 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.39 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.39 |
| ▸ | HPGD | P15428 | 1/20 | 0.39 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL29441569 | 1.00 | POLB (0.53) | POLBNPC1MAPK1HSD17B10ALDH1A1 | |
| SCHEMBL28427551 | 1.00 | POLB (0.53) | POLBNPC1MAPK1HSD17B10ALDH1A1 | |
| SCHEMBL23907322 | 0.86 | CA12 (0.47) | POLBNPC1ALDH1A1MAPTNPSR1 | |
| SCHEMBL23907325 | 0.86 | CA12 (0.47) | POLBNPC1ALDH1A1MAPTNPSR1 | |
| SCHEMBL22216390 | 0.80 | AKR1B1 (0.37) | POLBNPC1ALDH1A1MAPTMEN1 | |
| SCHEMBL22216353 | 0.80 | POLB (0.51) | POLBNPC1MAPK1HSD17B10ALDH1A1 | |
| SCHEMBL29441565 | 0.80 | POLB (0.51) | POLBNPC1MAPK1HSD17B10ALDH1A1 | |
| SCHEMBL22216389 | 0.79 | LOXL2 (0.39) | ALDH1A1MAPTMEN1KMT2ACA12 | |
| SCHEMBL22206965 | 0.77 | KMT2A (0.47) | POLBNPC1MAPK1HSD17B10ALDH1A1 | |
| SCHEMBL22206964 | 0.77 | KMT2A (0.47) | POLBNPC1MAPK1HSD17B10ALDH1A1 |
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 3 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 |
| CN-111434662-A | Haloallylamine compound and application thereof | 南京药捷安康生物科技有限公司 | 2020-07-21 | — | — | CN | 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 |