Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.41 |
| ▸ | BTK | Q06187 | 1/20 | 0.40 |
| ▸ | MAP4K4 | O95819 | 1/20 | 0.40 |
| ▸ | HRH4 | Q9H3N8 | 2/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.39 |
| ▸ | NPC1 | O15118 | 1/20 | 0.39 |
| ▸ | RAB9A | P51151 | 1/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.39 |
| ▸ | PIK3CD | O00329 | 1/20 | 0.38 |
| ▸ | PIK3CA | P42336 | 1/20 | 0.38 |
| ▸ | PIK3CB | P42338 | 1/20 | 0.38 |
| ▸ | CRHBP | P24387 | 1/20 | 0.38 |
| ▸ | CRHR2 | Q13324 | 1/20 | 0.38 |
| ▸ | IP6K1 | Q92551 | 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 | |
|---|---|---|---|---|
| SCHEMBL29582269 | 1.00 | ALDH1A1 (0.41) | ALDH1A1BTKMAP4K4HRH4SMN1; SMN2 | |
| SCHEMBL28256286 | 0.98 | ALDH1A1 (0.44) | ALDH1A1BTKMAP4K4SMN1; SMN2NPC1 | |
| Hydrochloric Acid SCHEMBL28169526 | 0.96 | ALDH1A1 (0.43) | ALDH1A1BTKMAP4K4SMN1; SMN2NPC1 | |
| SCHEMBL13076946 | 0.82 | HRH3 (0.53) | ALDH1A1HRH4SMN1; SMN2 | |
| SCHEMBL30165732 | 0.82 | PIK3CA (0.56) | ALDH1A1KMT2APIK3CDPIK3CAPIK3CB | |
| SCHEMBL30567821 | 0.82 | HRH4 (0.56) | HRH4 | |
| SCHEMBL254934 | 0.82 | PIK3CA (0.56) | ALDH1A1KMT2APIK3CDPIK3CAPIK3CB | |
| SCHEMBL13076949 | 0.82 | HRH4 (0.37) | BTKHRH4KMT2APIK3CDPIK3CA | |
| SCHEMBL9029494 | 0.82 | SMN1; SMN2 (0.52) | ALDH1A1HRH4SMN1; SMN2NPC1RAB9A | |
| SCHEMBL27262472 | 0.78 | MAP4K4 (0.52) | BTKMAP4K4NPC1RAB9A |
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 11 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-115974879-B | Preparation method of polysubstituted imidazo heterocyclic compound | 浙江工业大学 | 2024-03-26 | — | — | CN | disclosed |
| CN-115974879-A | Preparation method of polysubstituted imidazo heterocyclic compound | 浙江工业大学 | 2023-04-18 | — | — | CN | disclosed |
| CN-115819363-A | Ketone amide compound and preparation method and application thereof | 浙江工业大学 | 2023-03-21 | — | — | CN | disclosed |
| CN-115745902-A | Preparation method of N-triazine amide compound | 浙江工业大学 | 2023-03-07 | — | — | CN | disclosed |
| CN-113603694-B | 1, 2-diketone compound and preparation method and application thereof | 浙江工业大学 | 2022-07-22 | — | — | CN | disclosed |
| CN-113444095-B | Triazine substituted imidazole compound and preparation method and application thereof | 浙江工业大学 | 2022-05-24 | — | — | CN | disclosed |
| CN-113603694-A | 1, 2-diketone compound and preparation method and application thereof | 浙江工业大学 | 2021-11-05 | — | — | CN | disclosed |
| CN-113444095-A | Triazine substituted imidazole compound and preparation method and application thereof | 浙江工业大学 | 2021-09-28 | — | — | CN | disclosed |
| CN-108135175-B | Bicyclic compounds and their use for inhibition of SUV39H2 | 肿瘤疗法科学股份有限公司 | 2021-04-06 | — | — | CN | disclosed |
| CN-108794488-B | Aryl-substituted triazole-containing fused heterocyclic compound and preparation and application thereof | 浙江大学 | 2020-09-01 | — | — | CN | disclosed |
| CN-108135175-A | Bicyclic compounds and their use for inhibition of SUV39H2 | 肿瘤疗法科学股份有限公司 | 2018-06-08 | — | — | CN | disclosed |