Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PARP1 | P09874 | 1/20 | 0.39 |
| ▸ | PARP10 | Q53GL7 | 1/20 | 0.39 |
| ▸ | NISCH | Q9Y2I1 | 3/20 | 0.36 |
| ▸ | FABP6 | P51161 | 1/20 | 0.36 |
| ▸ | HTR2A | P28223 | 2/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.33 |
| ▸ | CA3 | P07451 | 1/20 | 0.33 |
| ▸ | CA6 | P23280 | 1/20 | 0.33 |
| ▸ | CA5A | P35218 | 1/20 | 0.33 |
| ▸ | CA9 | Q16790 | 1/20 | 0.33 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.33 |
| ▸ | CA5B | Q9Y2D0 | 1/20 | 0.33 |
| ▸ | RAB9A | P51151 | 2/20 | 0.33 |
| ▸ | LMNA | P02545 | 2/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.33 |
| ▸ | MAPT | P10636 | 1/20 | 0.33 |
| ▸ | THRB | P10828 | 1/20 | 0.33 |
| ▸ | HK1 | P19367 | 1/20 | 0.33 |
| ▸ | HTT | P42858 | 1/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 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 | |
|---|---|---|---|---|
| SCHEMBL15037628 | 1.00 | PARP1 (0.39) | PARP1PARP10NISCHFABP6HTR2A | |
| SCHEMBL28995816 | 0.77 | NISCH (0.46) | NISCHALDH1A1RAB9AKDM4EMAPT | |
| SCHEMBL28162579 | 0.72 | ALDH1A1 (0.35) | HTR2AALDH1A1MAPTPOLBHPGD | |
| SCHEMBL9766850 | 0.70 | CA9 (0.52) | ALDH1A1CA3CA6CA5ACA9 | |
| SCHEMBL15566852 | 0.65 | CA9 (0.42) | PARP1PARP10ALDH1A1CA3CA6 | |
| SCHEMBL5321082 | 0.64 | HTR6 (0.50) | HTR2A | |
| SCHEMBL16309073 | 0.64 | F2RL1 (0.47) | PARP1PARP10CA3CA6CA5A | |
| SCHEMBL1131764 | 0.63 | CASP3 (0.49) | CA3CA6CA5ACA9CA14 | |
| SCHEMBL28995817 | 0.63 | PARP10 (0.39) | PARP1PARP10HTR2A | |
| SCHEMBL24766983 | 0.62 | CA3 (0.44) | ALDH1A1CA3CA6CA5ACA9 |
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-115838697-A | Imine reductase mutant and application thereof in synthesis of chiral intermediate of erlotinib | 华东理工大学 | 2023-03-24 | — | — | CN | claimed |
| CN-115838697-B | Imine reductase mutant and application thereof in synthesis of larotinib chiral intermediate | 华东理工大学 | 2025-09-02 | — | — | CN | disclosed |
| CN-115838697-A | Imine reductase mutant and application thereof in synthesis of chiral intermediate of erlotinib | 华东理工大学 | 2023-03-24 | — | — | CN | disclosed |
| CN-115838697-A | Imine reductase mutant and application thereof in synthesis of chiral intermediate of erlotinib | 华东理工大学 | 2023-03-24 | — | — | CN | disclosed |
| CN-114836490-A | Application of imine reductase in catalytic synthesis of chiral 2-aryl pyrrolidine | 上海健康医学院 | 2022-08-02 | — | — | CN | disclosed |