Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.46 |
| ▸ | NPC1 | O15118 | 1/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.46 |
| ▸ | MAPT | P10636 | 1/20 | 0.46 |
| ▸ | RAB9A | P51151 | 1/20 | 0.46 |
| ▸ | DDB1 | Q16531 | 1/20 | 0.45 |
| ▸ | CRBN | Q96SW2 | 1/20 | 0.45 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.40 |
| ▸ | F12 | P00748 | 1/20 | 0.40 |
| ▸ | PLAU | P00749 | 1/20 | 0.40 |
| ▸ | NCF1 | P14598 | 1/20 | 0.40 |
| ▸ | NOS3 | P29474 | 1/20 | 0.40 |
| ▸ | NOS1 | P29475 | 1/20 | 0.40 |
| ▸ | NOS2 | P35228 | 1/20 | 0.40 |
| ▸ | BACE1 | P56817 | 1/20 | 0.40 |
| ▸ | HRH1 | P35367 | 1/20 | 0.38 |
| ▸ | HTT | P42858 | 1/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.37 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.37 |
| ▸ | UTS2R | Q9UKP6 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL28926587 | 0.95 | SMN1; SMN2 (0.45) | SMN1; SMN2NPC1ALDH1A1MAPTRAB9A | |
| SCHEMBL28256052 | 0.80 | NPC1 (0.45) | SMN1; SMN2NPC1ALDH1A1MAPTRAB9A | |
| SCHEMBL28461188 | 0.80 | PLAU (0.40) | NPC1ALDH1A1MAPTRAB9APLAU | |
| SCHEMBL29445030 | 0.78 | UTS2R (0.43) | ALDH1A1HTTKMT2AUTS2RKDM4E | |
| SCHEMBL28030867 | 0.78 | DRD2 (0.45) | SMN1; SMN2NPC1ALDH1A1MAPTRAB9A | |
| SCHEMBL8888048 | 0.77 | MAPT (0.51) | SMN1; SMN2NPC1ALDH1A1MAPTRAB9A | |
| SCHEMBL11254113 | 0.75 | NPC1 (0.53) | SMN1; SMN2NPC1ALDH1A1MAPTRAB9A | |
| SCHEMBL18828484 | 0.74 | MAPT (0.56) | SMN1; SMN2NPC1ALDH1A1MAPTRAB9A | |
| SCHEMBL29249915 | 0.73 | ALDH1A1 (0.51) | SMN1; SMN2NPC1ALDH1A1MAPTRAB9A | |
| SCHEMBL20623031 | 0.73 | ALDH1A1 (0.51) | SMN1; SMN2NPC1ALDH1A1MAPTRAB9A |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-111606895-B | Synthesis method of 1-alkyl-isoquinoline compound | 武汉英纳氏药业有限公司 | 2021-12-21 | — | — | CN | claimed |
| CN-109761897-B | Method for copper-catalyzed alkylation of C (sp2) -H bond of N-heterocyclic aromatic hydrocarbon compound | 浙江工业大学 | 2022-02-22 | — | — | CN | disclosed |
| CN-111606895-B | Synthesis method of 1-alkyl-isoquinoline compound | 武汉英纳氏药业有限公司 | 2021-12-21 | — | — | CN | disclosed |
| CN-109734705-B | Method for preparing N-heterocyclic aromatic hydrocarbon derivative through dehalogenation alkylation | 浙江工业大学 | 2021-09-28 | — | — | CN | disclosed |
| CN-111606895-A | Synthesis method of 1-alkyl-isoquinoline compound | 湖北工业大学 | 2020-09-01 | — | — | CN | disclosed |