Known targets — ChEMBL curated mechanism
The experimentally established mechanism targets of Quinaldine. 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 | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 2/20 | 0.66 |
| ▸ | RAB9A | P51151 | 4/20 | 0.43 |
| ▸ | NPC1 | O15118 | 3/20 | 0.43 |
| ▸ | POLB | P06746 | 2/20 | 0.43 |
| ▸ | HPGD | P15428 | 2/20 | 0.43 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.43 |
| ▸ | TP53 | P04637 | 1/20 | 0.43 |
| ▸ | CA12 | O43570 | 1/20 | 0.41 |
| ▸ | CA9 | Q16790 | 1/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.41 |
| ▸ | CNR2 | P34972 | 1/20 | 0.41 |
| ▸ | GLO1 | Q04760 | 2/20 | 0.41 |
| ▸ | MGAM | O43451 | 1/20 | 0.41 |
| ▸ | METAP2 | P50579 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.40 |
| ▸ | AGTR1 | P30556 | 1/20 | 0.40 |
| ▸ | PAX8 | Q06710 | 1/20 | 0.40 |
| ▸ | SLC40A1 | Q9NP59 | 1/20 | 0.40 |
| ▸ | KDM1A | O60341 | 1/20 | 0.40 |
| ▸ | MEN1 | O00255 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| Quinaldine SCHEMBL454572 | 0.89 | CYP1A2 (0.76) | CYP1A2RAB9ANPC1POLBHPGD | |
| Quinaldine SCHEMBL4271098 | 0.88 | CYP1A2 (0.68) | CYP1A2RAB9ANPC1POLBHPGD | |
| Quinaldine SCHEMBL11513560 | 0.83 | CYP1A2 (0.66) | CYP1A2RAB9ANPC1POLBHPGD | |
| SCHEMBL3656264 | 0.83 | CYP1A2 (0.41) | CYP1A2RAB9ANPC1POLBHPGD | |
| Quinaldine SCHEMBL28523545 | 0.81 | CYP1A2 (0.91) | CYP1A2RAB9ANPC1POLBHPGD | |
| Quinaldine SCHEMBL29405077 | 0.81 | CYP1A2 (1.00) | CYP1A2RAB9ANPC1POLBHPGD | |
| Quinaldine SCHEMBL56360 | 0.81 | CYP1A2 (1.00) | CYP1A2RAB9ANPC1POLBHPGD | |
| Quinaldine SCHEMBL5428195 | 0.81 | CYP1A2 (1.00) | CYP1A2RAB9ANPC1POLBHPGD | |
| Acridine SCHEMBL2823221 | 0.80 | ALDH1A1 (0.58) | CYP1A2RAB9ANPC1POLBHPGD | |
| SCHEMBL3659595 | 0.80 | MAPT (0.48) | CYP1A2RAB9ASMN1; SMN2KDM4EGLO1 |
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-104955585-B | Preservative application member | 开尔弗森2200有限公司 | 2018-04-13 | — | — | CN | disclosed |