Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 2/20 | 0.53 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.53 |
| ▸ | IL5 | P05113 | 1/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.37 |
| ▸ | PSMD14 | O00487 | 1/20 | 0.37 |
| ▸ | COPS5 | Q92905 | 1/20 | 0.37 |
| ▸ | UHRF1 | Q96T88 | 1/20 | 0.36 |
| ▸ | NOS1 | P29475 | 2/20 | 0.36 |
| ▸ | AXL | P30530 | 1/20 | 0.36 |
| ▸ | MAPT | P10636 | 2/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.36 |
| ▸ | CCR1 | P32246 | 1/20 | 0.35 |
| ▸ | CCR8 | P51685 | 1/20 | 0.35 |
| ▸ | BACE1 | P56817 | 1/20 | 0.35 |
| ▸ | IDO1 | P14902 | 1/20 | 0.34 |
| ▸ | TDO2 | P48775 | 1/20 | 0.34 |
| ▸ | SLC9A1 | P19634 | 1/20 | 0.34 |
| ▸ | LMNA | P02545 | 1/20 | 0.34 |
| ▸ | HTT | P42858 | 1/20 | 0.34 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL31399686 | 0.85 | CYP1A2 (0.53) | CYP1A2CYP2A6KDM4EUHRF1NOS1 | |
| SCHEMBL2171256 | 0.85 | CYP1A2 (0.53) | CYP1A2CYP2A6KDM4EUHRF1NOS1 | |
| SCHEMBL8404524 | 0.80 | CYP1A2 (0.57) | CYP1A2CYP2A6IL5KDM4EPSMD14 | |
| SCHEMBL29404615 | 0.80 | CYP1A2 (0.57) | CYP1A2CYP2A6IL5KDM4EPSMD14 | |
| Ammonia Solution, Strong SCHEMBL28514949 | 0.78 | CYP1A2 (0.55) | CYP1A2CYP2A6IL5KDM4EPSMD14 | |
| SCHEMBL16168207 | 0.77 | CYP1A2 (0.53) | CYP1A2CYP2A6IL5KDM4EPSMD14 | |
| SCHEMBL1564051 | 0.77 | IDO1 (0.57) | CYP1A2CYP2A6KDM4EMAPTIDO1 | |
| SCHEMBL11257598 | 0.77 | CYP1A2 (0.53) | CYP1A2CYP2A6IL5KDM4EPSMD14 | |
| SCHEMBL21404452 | 0.77 | EGFR (0.39) | NOS1AXLMAPTBACE1IDO1 | |
| SCHEMBL2553675 | 0.77 | PDPK1 (0.53) | NOS1AXLBACE1SLC9A1 |
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 10 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-112028828-B | Preparation method of polysubstituted bromomethylbenzene nitrogen-containing heterocyclic compound | 烟台宁远药业有限公司 | 2023-04-14 | — | — | CN | claimed |
| CN-112121463-B | Preparation method of polysubstituted benzo nitrogen-containing heterocyclic methylamine | 烟台宁远药业有限公司 | 2022-03-22 | — | — | CN | claimed |
| CN-112121463-A | Preparation method of polysubstituted benzo nitrogen-containing heterocyclic methylamine | 烟台宁远药业有限公司 | 2020-12-25 | — | — | CN | claimed |
| CN-112028828-A | Preparation method of polysubstituted bromomethylbenzene nitrogen-containing heterocyclic compound | 烟台宁远药业有限公司 | 2020-12-04 | — | — | CN | claimed |
| CN-112028828-B | Preparation method of polysubstituted bromomethylbenzene nitrogen-containing heterocyclic compound | 烟台宁远药业有限公司 | 2023-04-14 | — | — | CN | disclosed |
| CN-112121463-B | Preparation method of polysubstituted benzo nitrogen-containing heterocyclic methylamine | 烟台宁远药业有限公司 | 2022-03-22 | — | — | CN | disclosed |
| CN-111777553-B | Preparation method of isoquinoline compounds | 苏州大学 | 2022-03-18 | — | — | CN | disclosed |
| CN-112121463-A | Preparation method of polysubstituted benzo nitrogen-containing heterocyclic methylamine | 烟台宁远药业有限公司 | 2020-12-25 | — | — | CN | disclosed |
| CN-112028828-A | Preparation method of polysubstituted bromomethylbenzene nitrogen-containing heterocyclic compound | 烟台宁远药业有限公司 | 2020-12-04 | — | — | CN | disclosed |
| CN-111777553-A | Preparation method of isoquinoline compounds | 苏州大学 | 2020-10-16 | — | — | CN | disclosed |