Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAOB | P27338 | 2/20 | 0.61 |
| ▸ | MRGPRX4 | Q96LA9 | 2/20 | 0.61 |
| ▸ | EGFR | P00533 | 14/20 | 0.55 |
| ▸ | ERBB2 | P04626 | 13/20 | 0.55 |
| ▸ | ERBB3 | P21860 | 1/20 | 0.52 |
| ▸ | ERBB4 | Q15303 | 1/20 | 0.52 |
| ▸ | GAK | O14976 | 1/20 | 0.51 |
| ▸ | IDO1 | P14902 | 1/20 | 0.50 |
| ▸ | AGXT | P21549 | 1/20 | 0.50 |
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 | |
|---|---|---|---|---|
| SCHEMBL29388015 | 1.00 | MAOB (0.61) | MAOBMRGPRX4EGFRERBB2ERBB3 | |
| SCHEMBL156718 | 1.00 | MAOB (0.61) | MAOBMRGPRX4EGFRERBB2ERBB3 | |
| Hydrochloric Acid SCHEMBL216004 | 0.99 | MAOB (0.62) | MAOBMRGPRX4EGFRERBB2ERBB3 | |
| SCHEMBL12727544 | 0.86 | MAOB (0.48) | MAOBMRGPRX4EGFRERBB2ERBB3 | |
| SCHEMBL6827590 | 0.85 | MRGPRX4 (0.64) | MAOBMRGPRX4IDO1AGXT | |
| SCHEMBL3321494 | 0.85 | MAOB (0.65) | MAOBMRGPRX4IDO1AGXT | |
| SCHEMBL20535609 | 0.84 | MAOB (0.55) | MAOBMRGPRX4EGFRERBB2IDO1 | |
| SCHEMBL22874527 | 0.84 | EGFR (0.55) | MRGPRX4EGFRERBB2ERBB3ERBB4 | |
| SCHEMBL25648997 | 0.84 | EGFR (0.55) | MAOBMRGPRX4EGFRERBB2ERBB3 | |
| SCHEMBL31193398 | 0.83 | MAOB (0.56) | MAOBMRGPRX4IDO1AGXT |
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-112759583-B | Quinoline derivative containing furyl and preparation method and application thereof | 河南省医药科学研究院 | 2022-10-11 | — | — | CN | disclosed |
| CN-112694439-B | Phenyl acrylamide quinoline derivative and preparation method and application thereof | 河南省医药科学研究院 | 2022-08-30 | — | — | CN | disclosed |
| CN-112625025-B | Pyridyl substituted quinoline derivative and its prepn and use | 河南省医药科学研究院 | 2022-03-29 | — | — | CN | disclosed |