Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.90 |
| ▸ | NPC1 | O15118 | 2/20 | 0.54 |
| ▸ | POLB | P06746 | 1/20 | 0.54 |
| ▸ | RAB9A | P51151 | 1/20 | 0.54 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.52 |
| ▸ | MAPT | P10636 | 4/20 | 0.50 |
| ▸ | HTT | P42858 | 3/20 | 0.50 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.50 |
| ▸ | CASP1 | P29466 | 2/20 | 0.50 |
| ▸ | TP53 | P04637 | 2/20 | 0.50 |
| ▸ | HSP90AA1 | P07900 | 2/20 | 0.50 |
| ▸ | TSHR | P16473 | 2/20 | 0.50 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.50 |
| ▸ | MEN1 | O00255 | 1/20 | 0.50 |
| ▸ | CASP7 | P55210 | 1/20 | 0.50 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.50 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.50 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.50 |
| ▸ | NR4A2 | P43354 | 1/20 | 0.50 |
| ▸ | HSP90AB1 | P08238 | 1/20 | 0.50 |
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 SCHEMBL28008945 | 0.97 | ALDH1A1 (0.94) | ALDH1A1NPC1POLBRAB9ACYP3A4 | |
| Quinoline SCHEMBL27547943 | 0.97 | ALDH1A1 (0.94) | ALDH1A1NPC1POLBRAB9ACYP3A4 | |
| Quinoline SCHEMBL4831356 | 0.97 | ALDH1A1 (0.94) | ALDH1A1NPC1POLBRAB9ACYP3A4 | |
| Quinoline SCHEMBL27486734 | 0.97 | ALDH1A1 (0.94) | ALDH1A1NPC1POLBRAB9ACYP3A4 | |
| Quinoline SCHEMBL27544818 | 0.95 | ALDH1A1 (0.90) | ALDH1A1NPC1POLBRAB9ACYP3A4 | |
| Quinoline SCHEMBL28024965 | 0.95 | ALDH1A1 (0.90) | ALDH1A1NPC1POLBRAB9ACYP3A4 | |
| Quinoline SCHEMBL29349552 | 0.95 | ALDH1A1 (1.00) | ALDH1A1NPC1POLBRAB9ACYP3A4 | |
| Quinoline SCHEMBL32661377 | 0.95 | ALDH1A1 (1.00) | ALDH1A1NPC1POLBRAB9ACYP3A4 | |
| Quinoline SCHEMBL29822171 | 0.95 | ALDH1A1 (1.00) | ALDH1A1NPC1POLBRAB9ACYP3A4 | |
| Quinoline SCHEMBL1270969 | 0.95 | ALDH1A1 (1.00) | ALDH1A1NPC1POLBRAB9ACYP3A4 |
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 |
|---|---|---|---|---|---|---|---|
| CN-110386953-A | Heptatomic ring pyridine imine complex containing big steric hindrance cycloalkane, preparation method and application | 中国科学院化学研究所 | 2019-10-29 | — | — | CN | disclosed |
| CN-106432357-B | Benzene generation -2,9- bis-imine pyridine and cycloheptane iron and cobalt complex catalyst and the preparation method and application thereof | 中国科学院化学研究所 | 2019-03-08 | — | — | CN | disclosed |
| CN-105315309-B | 2,6- bis-imine pyridines and cycloheptane iron and cobalt complex catalyst and preparation method and application | 中国科学院化学研究所 | 2018-06-08 | — | — | CN | disclosed |