Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 6/20 | 0.55 |
| ▸ | CYP2A6 | P11509 | 5/20 | 0.55 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.45 |
| ▸ | HPGD | P15428 | 2/20 | 0.44 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.44 |
| ▸ | IL5 | P05113 | 1/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.38 |
| ▸ | PSMD14 | O00487 | 1/20 | 0.38 |
| ▸ | COPS5 | Q92905 | 1/20 | 0.38 |
| ▸ | UHRF1 | Q96T88 | 1/20 | 0.38 |
| ▸ | CCR1 | P32246 | 2/20 | 0.37 |
| ▸ | CCR8 | P51685 | 2/20 | 0.37 |
| ▸ | MAPT | P10636 | 1/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.36 |
| ▸ | TSHR | P16473 | 1/20 | 0.36 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.36 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.36 |
| ▸ | IDO1 | P14902 | 1/20 | 0.35 |
| ▸ | TDO2 | P48775 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL8404524 | 0.98 | CYP1A2 (0.57) | CYP1A2CYP2A6ALDH1A1HPGDHSD17B10 | |
| SCHEMBL29404615 | 0.98 | CYP1A2 (0.57) | CYP1A2CYP2A6ALDH1A1HPGDHSD17B10 | |
| SCHEMBL8404533 | 0.82 | CYP1A2 (0.57) | CYP1A2CYP2A6ALDH1A1HPGDHSD17B10 | |
| SCHEMBL18848569 | 0.78 | CYP1A2 (0.47) | CYP1A2CYP2A6ALDH1A1HPGDHSD17B10 | |
| SCHEMBL16168207 | 0.78 | CYP1A2 (0.53) | CYP1A2CYP2A6IL5KDM4EPSMD14 | |
| SCHEMBL28474208 | 0.78 | CYP1A2 (0.53) | CYP1A2CYP2A6ALDH1A1IL5KDM4E | |
| SCHEMBL2749558 | 0.78 | CYP1A2 (0.47) | CYP1A2CYP2A6ALDH1A1HPGDHSD17B10 | |
| SCHEMBL1564051 | 0.78 | IDO1 (0.57) | CYP1A2CYP2A6KDM4EMAPTIDO1 | |
| SCHEMBL11257598 | 0.78 | CYP1A2 (0.53) | CYP1A2CYP2A6ALDH1A1HPGDHSD17B10 | |
| SCHEMBL12911327 | 0.78 | CYP1A2 (0.47) | CYP1A2CYP2A6ALDH1A1HPGDHSD17B10 |
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-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-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 |