Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.74 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.50 |
| ▸ | POLB | P06746 | 2/20 | 0.47 |
| ▸ | NPC1 | O15118 | 1/20 | 0.47 |
| ▸ | RAB9A | P51151 | 1/20 | 0.47 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.44 |
| ▸ | MAPT | P10636 | 2/20 | 0.44 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.44 |
| ▸ | CASP1 | P29466 | 2/20 | 0.44 |
| ▸ | HTT | P42858 | 2/20 | 0.44 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.44 |
| ▸ | MEN1 | O00255 | 1/20 | 0.44 |
| ▸ | CASP7 | P55210 | 1/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.44 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.44 |
| ▸ | NR4A2 | P43354 | 1/20 | 0.44 |
| ▸ | TP53 | P04637 | 1/20 | 0.44 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.44 |
| ▸ | HSP90AB1 | P08238 | 1/20 | 0.44 |
| ▸ | TSHR | P16473 | 1/20 | 0.44 |
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 SCHEMBL2535469 | 0.91 | ALDH1A1 (0.81) | ALDH1A1CYP3A4POLBNPC1RAB9A | |
| Quinoline SCHEMBL4599170 | 0.89 | ALDH1A1 (0.77) | ALDH1A1CYP3A4POLBNPC1RAB9A | |
| Quinoline SCHEMBL27960167 | 0.89 | ALDH1A1 (0.77) | ALDH1A1CYP3A4POLBNPC1RAB9A | |
| Quinoline SCHEMBL27467057 | 0.87 | ALDH1A1 (0.74) | ALDH1A1CYP3A4POLBNPC1RAB9A | |
| Quinoline SCHEMBL6399465 | 0.87 | ALDH1A1 (0.74) | ALDH1A1CYP3A4POLBNPC1RAB9A | |
| Quinoline SCHEMBL28250556 | 0.87 | ALDH1A1 (0.74) | ALDH1A1CYP3A4POLBNPC1RAB9A | |
| Quinoline SCHEMBL4265438 | 0.87 | ALDH1A1 (0.74) | ALDH1A1CYP3A4POLBNPC1RAB9A | |
| Quinoline SCHEMBL27849601 | 0.87 | ALDH1A1 (0.74) | ALDH1A1CYP3A4POLBNPC1RAB9A | |
| Quinoline SCHEMBL8810836 | 0.87 | ALDH1A1 (0.74) | ALDH1A1CYP3A4POLBNPC1RAB9A | |
| Quinoline SCHEMBL3432255 | 0.87 | ALDH1A1 (0.74) | ALDH1A1CYP3A4POLBNPC1RAB9A |
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-109608488-A | A kind of synthetic method of 2- phenyl ortho position substitution triethyl group silicon quinolines | 五邑大学 | 2019-04-12 | — | — | CN | disclosed |