Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.59 |
| ▸ | TLR8 | Q9NR97 | 5/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.41 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.41 |
| ▸ | HTT | P42858 | 1/20 | 0.41 |
| ▸ | GPBAR1 | Q8TDU6 | 1/20 | 0.40 |
| ▸ | NPC1 | O15118 | 2/20 | 0.40 |
| ▸ | POLB | P06746 | 1/20 | 0.39 |
| ▸ | RAB9A | P51151 | 1/20 | 0.39 |
| ▸ | LMNA | P02545 | 1/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.39 |
| ▸ | TLR7 | Q9NYK1 | 1/20 | 0.38 |
| ▸ | TRPV1 | Q8NER1 | 4/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.38 |
| ▸ | PDE10A | Q9Y233 | 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 SCHEMBL11343924 | 0.98 | ALDH1A1 (0.57) | ALDH1A1TLR8CYP1A2CYP2C19HTT | |
| Quinoline SCHEMBL11693830 | 0.98 | ALDH1A1 (0.57) | ALDH1A1TLR8CYP1A2CYP2C19HTT | |
| Quinoline SCHEMBL28025239 | 0.91 | ALDH1A1 (0.71) | ALDH1A1TLR8CYP1A2CYP2C19HTT | |
| Quinoline SCHEMBL28202501 | 0.89 | ALDH1A1 (0.68) | ALDH1A1TLR8CYP1A2CYP2C19HTT | |
| Quinoline SCHEMBL19433739 | 0.89 | ALDH1A1 (0.68) | ALDH1A1CYP1A2CYP2C19HTTGPBAR1 | |
| Quinoline SCHEMBL27417695 | 0.89 | ALDH1A1 (0.68) | ALDH1A1TLR8HTTGPBAR1NPC1 | |
| Dodecane SCHEMBL28937946 | 0.89 | ALDH1A1 (0.68) | ALDH1A1TLR8HTTGPBAR1NPC1 | |
| Quinoline SCHEMBL27987363 | 0.89 | ALDH1A1 (0.68) | ALDH1A1TLR8HTTGPBAR1NPC1 | |
| Decane SCHEMBL9763188 | 0.89 | ALDH1A1 (0.68) | ALDH1A1TLR8HTTGPBAR1NPC1 | |
| Quinoline SCHEMBL11220317 | 0.87 | ALDH1A1 (0.65) | ALDH1A1TLR8CYP1A2CYP2C19HTT |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2074098-A2 | QUINOLINE COMPOUNDS | Wyeth (US) | 2009-07-01 | — | — | EP | disclosed |
| WO-2008049047-A2 | QUINOLINE COMPOUNDS | WYETH (US) | 2008-04-24 | — | — | WO | disclosed |