Known targets — ChEMBL curated mechanism
ACHEADRA1AADRA1BADRA1DADRA2AADRA2BADRA2CADRB1ADRB2ADRB3APH1AAPH1BCHRM2CHRM3EZH2GRIN2AHTR1AHTR1BHTR1DHTR1FHTR3ANCSTNP2RY12PSEN1PSEN2PSENENSIGMAR1SLC6A2SLC6A3SLC6A4
The experimentally established mechanism targets of Quinoline. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.
Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AXL | P30530 | 2/20 | 0.75 |
| ▸ | NUDT1 | P36639 | 2/20 | 0.75 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.61 |
| ▸ | MAPK1 | P28482 | 3/20 | 0.47 |
| ▸ | NR4A2 | P43354 | 1/20 | 0.42 |
| ▸ | CDK8 | P49336 | 2/20 | 0.41 |
| ▸ | NPC1 | O15118 | 1/20 | 0.40 |
| ▸ | POLB | P06746 | 1/20 | 0.40 |
| ▸ | RAB9A | P51151 | 1/20 | 0.40 |
| ▸ | MET | P08581 | 1/20 | 0.39 |
| ▸ | PRKCI | P41743 | 1/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.39 |
| ▸ | CASP1 | P29466 | 2/20 | 0.38 |
| ▸ | HTT | P42858 | 2/20 | 0.38 |
| ▸ | MEN1 | O00255 | 1/20 | 0.38 |
| ▸ | CASP7 | P55210 | 1/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.38 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| Quinoline SCHEMBL20292966 | 0.98 | AXL (0.78) | AXLNUDT1ALDH1A1MAPK1NR4A2 | |
| Bromide SCHEMBL27394282 | 0.89 | AXL (0.95) | AXLNUDT1ALDH1A1MAPK1CDK8 | |
| SCHEMBL709685 | 0.87 | AXL (1.00) | AXLNUDT1ALDH1A1MAPK1CDK8 | |
| SCHEMBL29523425 | 0.87 | — | — | |
| SCHEMBL17837 | 0.87 | — | — | |
| SCHEMBL27753650 | 0.85 | AXL (0.95) | AXLNUDT1ALDH1A1MAPK1CDK8 | |
| Methane SCHEMBL14738986 | 0.85 | AXL (0.95) | AXLNUDT1ALDH1A1MAPK1CDK8 | |
| SCHEMBL27692181 | 0.85 | — | — | |
| Potassium SCHEMBL30760557 | 0.85 | AXL (0.95) | AXLNUDT1ALDH1A1MAPK1CDK8 | |
| Hydrochloric Acid SCHEMBL27893779 | 0.85 | AXL (0.95) | AXLNUDT1ALDH1A1MAPK1CDK8 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-107987076-A | A kind of synthetic method of 5- bromo-7-azaindoles | 中钢集团鞍山热能研究院有限公司 | 2018-05-04 | — | — | CN | disclosed |