Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2A6 | P11509 | 3/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.40 |
| ▸ | GRIN2D | O15399 | 1/20 | 0.38 |
| ▸ | GRIN3B | O60391 | 1/20 | 0.38 |
| ▸ | GRIN1 | Q05586 | 1/20 | 0.38 |
| ▸ | GRIN2A | Q12879 | 1/20 | 0.38 |
| ▸ | GRIN2B | Q13224 | 1/20 | 0.38 |
| ▸ | GRIN2C | Q14957 | 1/20 | 0.38 |
| ▸ | GRIN3A | Q8TCU5 | 1/20 | 0.38 |
| ▸ | DAO | P14920 | 2/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.36 |
| ▸ | GAA | P10253 | 1/20 | 0.36 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.36 |
| ▸ | MCL1 | Q07820 | 1/20 | 0.35 |
| ▸ | NOTUM | Q6P988 | 1/20 | 0.35 |
| ▸ | CCR2 | P41597 | 2/20 | 0.35 |
| ▸ | ATM | Q13315 | 1/20 | 0.34 |
| ▸ | TSHR | P16473 | 1/20 | 0.34 |
| ▸ | VDR | P11473 | 2/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 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 | |
|---|---|---|---|---|
| SCHEMBL5641540 | 0.79 | GRIN2D (0.41) | CYP2A6ALDH1A1GRIN2DGRIN3BGRIN1 | |
| SCHEMBL16381876 | 0.78 | CYP2A6 (0.41) | CYP2A6ALDH1A1GRIN2DGRIN3BGRIN1 | |
| SCHEMBL14127998 | 0.78 | CYP2A6 (0.41) | CYP2A6ALDH1A1GRIN2DGRIN3BGRIN1 | |
| SCHEMBL29894136 | 0.78 | GRIN2D (0.51) | ALDH1A1GRIN2DGRIN3BGRIN1GRIN2A | |
| SCHEMBL342762 | 0.78 | GRIN2D (0.51) | ALDH1A1GRIN2DGRIN3BGRIN1GRIN2A | |
| SCHEMBL9236099 | 0.78 | CYP2A6 (0.41) | CYP2A6ALDH1A1GRIN2DGRIN3BGRIN1 | |
| SCHEMBL15615096 | 0.75 | ALDH1A1 (0.54) | CYP2A6ALDH1A1DAOKDM4EGAA | |
| SCHEMBL28204790 | 0.75 | CYP2A6 (0.39) | CYP2A6ALDH1A1GRIN2DGRIN3BGRIN1 | |
| SCHEMBL28130479 | 0.75 | DAO (0.40) | CYP2A6ALDH1A1DAOKDM4EGAA | |
| SCHEMBL18002264 | 0.75 | CCR2 (0.59) | ALDH1A1KDM4EGAACCR2VDR |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-103992316-A | Method for synthesizing 5-formonitrile-pyrrole [1,2-a ] quinoline derivative | NANJING UNIVERSITY OF TECHNOLOGY | 2014-08-20 | — | — | CN | disclosed |
| CN-103992317-A | Synthesis method of 5-formonitrile-pyrrole [1,2-a ] quinoline derivative | NANJING UNIVERSITY OF TECHNOLOGY | 2014-08-20 | — | — | CN | disclosed |
| WO-2008050207-A1 | HETEROCYCLIC COMPOUNDS USEFUL AS ANABOLIC AGENTS FOR LIVESTOCK ANIMALS | PFIZER LIMITED (GB) | 2008-05-02 | — | — | WO | disclosed |