Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA12 | O43570 | 1/20 | 0.47 |
| ▸ | CA9 | Q16790 | 1/20 | 0.47 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.41 |
| ▸ | MEN1 | O00255 | 1/20 | 0.41 |
| ▸ | GSK3B | P49841 | 1/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.39 |
| ▸ | MAPT | P10636 | 2/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.39 |
| ▸ | RAB9A | P51151 | 1/20 | 0.39 |
| ▸ | POLB | P06746 | 2/20 | 0.39 |
| ▸ | TSHR | P16473 | 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 | |
|---|---|---|---|---|
| SCHEMBL23907155 | 1.00 | CA12 (0.47) | CA12CA9NPSR1KMT2AMEN1 | |
| SCHEMBL22206965 | 0.86 | KMT2A (0.47) | CA12CA9NPSR1KMT2AMEN1 | |
| SCHEMBL22206964 | 0.86 | KMT2A (0.47) | CA12CA9NPSR1KMT2AMEN1 | |
| SCHEMBL23907194 | 0.79 | SMN1; SMN2 (0.45) | KMT2ASMN1; SMN2POLB | |
| SCHEMBL23907192 | 0.79 | SMN1; SMN2 (0.45) | KMT2ASMN1; SMN2POLB | |
| SCHEMBL23907175 | 0.78 | KMT2A (0.45) | CA12CA9NPSR1KMT2AMEN1 | |
| SCHEMBL23907174 | 0.78 | KMT2A (0.45) | CA12CA9NPSR1KMT2AMEN1 | |
| SCHEMBL23907322 | 0.75 | CA12 (0.47) | CA12CA9NPSR1KMT2AMEN1 | |
| SCHEMBL23907325 | 0.75 | CA12 (0.47) | CA12CA9NPSR1KMT2AMEN1 | |
| SCHEMBL23907157 | 0.74 | CA12 (0.46) | CA12CA9NPSR1KMT2AMEN1 |
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 |
|---|---|---|---|---|---|---|---|
| CN-111434662-B | Haloallylamine compound and application thereof | 药捷安康(南京)科技股份有限公司 | 2023-01-10 | — | — | CN | disclosed |
| 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 |