Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 7/20 | 0.89 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.60 |
| ▸ | NPC1 | O15118 | 3/20 | 0.57 |
| ▸ | RAB9A | P51151 | 3/20 | 0.57 |
| ▸ | POLB | P06746 | 2/20 | 0.57 |
| ▸ | NQO2 | P16083 | 1/20 | 0.53 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.53 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.53 |
| ▸ | MAPT | P10636 | 2/20 | 0.53 |
| ▸ | HTT | P42858 | 2/20 | 0.53 |
| ▸ | TP53 | P04637 | 2/20 | 0.53 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.53 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.53 |
| ▸ | HSP90AB1 | P08238 | 1/20 | 0.53 |
| ▸ | TSHR | P16473 | 1/20 | 0.53 |
| ▸ | CASP1 | P29466 | 1/20 | 0.53 |
| ▸ | ATM | Q13315 | 1/20 | 0.53 |
| ▸ | LMNA | P02545 | 1/20 | 0.50 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.48 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.48 |
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 | |
|---|---|---|---|---|
| SCHEMBL130884 | 0.94 | ALDH1A1 (1.00) | ALDH1A1CYP1A2NPC1RAB9APOLB | |
| Ammonia Solution, Strong SCHEMBL27491586 | 0.92 | ALDH1A1 (0.96) | ALDH1A1CYP1A2NPC1RAB9APOLB | |
| Methylamine SCHEMBL23929917 | 0.90 | ALDH1A1 (0.92) | ALDH1A1CYP1A2NPC1RAB9APOLB | |
| Quinoline SCHEMBL28121629 | 0.90 | ALDH1A1 (0.72) | ALDH1A1CYP1A2NPC1RAB9APOLB | |
| SCHEMBL827302 | 0.89 | ALDH1A1 (0.89) | ALDH1A1CYP1A2NPC1RAB9APOLB | |
| Quinoline SCHEMBL25435077 | 0.88 | ALDH1A1 (0.77) | ALDH1A1CYP1A2NPC1RAB9APOLB | |
| SCHEMBL16111042 | 0.87 | ALDH1A1 (0.85) | ALDH1A1CYP1A2NPC1RAB9APOLB | |
| SCHEMBL23367995 | 0.86 | ALDH1A1 (0.71) | ALDH1A1CYP1A2NPC1RAB9APOLB | |
| Quinoline SCHEMBL29021077 | 0.86 | ALDH1A1 (0.74) | ALDH1A1CYP1A2NPC1RAB9APOLB | |
| Oxalic Acid SCHEMBL10954586 | 0.84 | ALDH1A1 (0.79) | ALDH1A1CYP1A2NPC1RAB9APOLB |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-106543078-B | A kind of preparation method of quinoline | 中国科学院兰州化学物理研究所苏州研究院 | 2019-01-11 | — | — | CN | disclosed |
| CN-107205382-A | Insect repellent | 花王株式会社 | 2017-09-26 | — | — | CN | disclosed |
| CN-107039680-A | Solid electrolyte and lithium battery including the same | 三星电子株式会社 | 2017-08-11 | — | — | CN | disclosed |
| CN-106543078-A | A kind of preparation method of quinoline | 中国科学院兰州化学物理研究所苏州研究院 | 2017-03-29 | — | — | CN | disclosed |