Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTT | P42858 | 2/20 | 0.38 |
| ▸ | CYP2A6 | P11509 | 2/20 | 0.37 |
| ▸ | NT5E | P21589 | 1/20 | 0.36 |
| ▸ | TDP2 | O95551 | 1/20 | 0.35 |
| ▸ | CDC25B | P30305 | 1/20 | 0.35 |
| ▸ | CASP6 | P55212 | 1/20 | 0.35 |
| ▸ | PPP1CA | P62136 | 1/20 | 0.35 |
| ▸ | MEN1 | O00255 | 2/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.34 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.34 |
| ▸ | MAPT | P10636 | 1/20 | 0.34 |
| ▸ | BACE1 | P56817 | 2/20 | 0.34 |
| ▸ | NOS1 | P29475 | 1/20 | 0.34 |
| ▸ | METAP2 | P50579 | 1/20 | 0.34 |
| ▸ | CSNK2A1 | P68400 | 1/20 | 0.34 |
| ▸ | PLAU | P00749 | 1/20 | 0.34 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.33 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.33 |
| ▸ | NCEH1 | Q6PIU2 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL28962504 | 1.00 | HTT (0.38) | HTTCYP2A6NT5ETDP2CDC25B | |
| SCHEMBL6849732 | 0.83 | HTT (0.38) | HTTCYP2A6NT5ETDP2CDC25B | |
| SCHEMBL30301874 | 0.83 | HTT (0.38) | HTTCYP2A6NT5ETDP2CDC25B | |
| SCHEMBL24253042 | 0.80 | MAPT (0.39) | HTTCYP2A6NT5EKDM4EALDH1A1 | |
| SCHEMBL3834430 | 0.80 | HTT (0.36) | HTTCYP2A6NT5ETDP2CDC25B | |
| SCHEMBL30467767 | 0.80 | MAPT (0.39) | HTTCYP2A6NT5EKDM4EALDH1A1 | |
| SCHEMBL15676507 | 0.78 | CYP2A6 (0.39) | HTTCYP2A6TDP2CDC25BCASP6 | |
| SCHEMBL1071371 | 0.77 | CYP1A2 (0.42) | CYP2A6MEN1KMT2AKDM4EALDH1A1 | |
| SCHEMBL374938 | 0.77 | ALDH1A1 (0.39) | CYP2A6ALDH1A1MAPTCYP1A2 | |
| SCHEMBL12302447 | 0.76 | NT5E (0.38) | HTTCYP2A6NT5ETDP2CDC25B |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-115417816-B | Preparation method of 3, 6-dibromo-1-chloro-isoquinoline | 江苏南大光电材料股份有限公司 | 2024-01-26 | — | — | CN | claimed |
| CN-115417816-B | Preparation method of 3, 6-dibromo-1-chloro-isoquinoline | 江苏南大光电材料股份有限公司 | 2024-01-26 | — | — | CN | disclosed |
| CN-115417816-B | Preparation method of 3, 6-dibromo-1-chloro-isoquinoline | 江苏南大光电材料股份有限公司 | 2024-01-26 | — | — | CN | disclosed |
| CN-115417816-B | Preparation method of 3, 6-dibromo-1-chloro-isoquinoline | 江苏南大光电材料股份有限公司 | 2024-01-26 | — | — | CN | disclosed |