Known targets — ChEMBL curated mechanism
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
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 | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.71 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.52 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.52 |
| ▸ | MEN1 | O00255 | 2/20 | 0.47 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.47 |
| ▸ | CASP1 | P29466 | 2/20 | 0.47 |
| ▸ | CASP7 | P55210 | 1/20 | 0.47 |
| ▸ | NPC1 | O15118 | 2/20 | 0.45 |
| ▸ | POLB | P06746 | 2/20 | 0.45 |
| ▸ | RAB9A | P51151 | 1/20 | 0.45 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.44 |
| ▸ | MAPT | P10636 | 3/20 | 0.43 |
| ▸ | HTT | P42858 | 4/20 | 0.42 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.42 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.42 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.42 |
| ▸ | NR4A2 | P43354 | 1/20 | 0.42 |
| ▸ | TP53 | P04637 | 1/20 | 0.42 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.42 |
| ▸ | HSP90AB1 | P08238 | 1/20 | 0.42 |
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 SCHEMBL28261411 | 0.98 | ALDH1A1 (0.74) | ALDH1A1KDM4EALOX12MEN1KMT2A | |
| Quinoline SCHEMBL21535 | 0.98 | ALDH1A1 (0.74) | ALDH1A1KDM4EALOX12MEN1KMT2A | |
| Quinoline SCHEMBL29710686 | 0.98 | ALDH1A1 (0.74) | ALDH1A1KDM4EALOX12MEN1KMT2A | |
| Quinoline SCHEMBL5874241 | 0.98 | ALDH1A1 (0.74) | ALDH1A1KDM4EALOX12MEN1KMT2A | |
| Quinoline SCHEMBL28142303 | 0.98 | ALDH1A1 (0.74) | ALDH1A1KDM4EALOX12MEN1KMT2A | |
| Quinoline SCHEMBL29192334 | 0.96 | ALDH1A1 (0.71) | ALDH1A1KDM4EALOX12MEN1KMT2A | |
| Quinoline SCHEMBL20972298 | 0.96 | ALDH1A1 (0.71) | ALDH1A1KDM4EALOX12MEN1KMT2A | |
| Quinoline SCHEMBL20972296 | 0.96 | ALDH1A1 (0.71) | ALDH1A1KDM4EALOX12MEN1KMT2A | |
| Quinoline SCHEMBL3914666 | 0.96 | ALDH1A1 (0.71) | ALDH1A1KDM4EALOX12MEN1KMT2A | |
| Quinoline SCHEMBL28187600 | 0.96 | ALDH1A1 (0.71) | ALDH1A1KDM4EALOX12MEN1KMT2A |
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 |
|---|---|---|---|---|---|---|---|
| EP-0624163-B1 | CYCLIC CALCITONIN DERIVATIVES AND METHOD FOR THEIR PRODUCTION | SMITHKLINE BEECHAM FARMA (IT) | 1998-03-25 | — | — | EP | disclosed |
| EP-0624163-A1 | CYCLIC CALCITONIN DERIVATIVES AND METHOD FOR THEIR PRODUCTION | Smithkline Beecham Farmaceutici S.p.A. (IT) | 1994-11-17 | — | — | EP | disclosed |
| WO-1993015106-A1 | CYCLIC CALCITONINE DERIVATIVES AND METHOD FOR THEIR PRODUCTION | SMITHKLINE BEECHAM FARMACEUTICI S.P.A. (IT) | 1993-08-05 | — | — | WO | disclosed |