Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.63 |
| ▸ | LMNA | P02545 | 3/20 | 0.50 |
| ▸ | CCR1 | P32246 | 4/20 | 0.48 |
| ▸ | CCR8 | P51685 | 4/20 | 0.48 |
| ▸ | CCR5 | P51681 | 3/20 | 0.48 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.48 |
| ▸ | MAPT | P10636 | 2/20 | 0.48 |
| ▸ | MMP2 | P08253 | 2/20 | 0.48 |
| ▸ | TSHR | P16473 | 2/20 | 0.48 |
| ▸ | GMNN | O75496 | 1/20 | 0.48 |
| ▸ | TP53 | P04637 | 1/20 | 0.48 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.48 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.48 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.48 |
| ▸ | MMP9 | P14780 | 1/20 | 0.48 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.48 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.48 |
| ▸ | MMP8 | P22894 | 1/20 | 0.48 |
| ▸ | THPO | P40225 | 1/20 | 0.48 |
| ▸ | MTOR | P42345 | 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 | |
|---|---|---|---|---|
| SCHEMBL29664407 | 0.88 | CCR1 (0.61) | LMNACCR1CCR8CCR5KDM4E | |
| SCHEMBL256942 | 0.88 | CCR1 (0.61) | LMNACCR1CCR8CCR5KDM4E | |
| Ammonia Solution, Strong SCHEMBL28014320 | 0.86 | LMNA (0.59) | LMNACCR1CCR8CCR5KDM4E | |
| SCHEMBL30150752 | 0.86 | LMNA (0.59) | LMNACCR1CCR8CCR5KDM4E | |
| Phenanthroline SCHEMBL27546799 | 0.82 | ALDH1A1 (0.77) | ALDH1A1LMNACCR1CCR8CCR5 | |
| Quinoline SCHEMBL28269722 | 0.81 | ALDH1A1 (0.63) | ALDH1A1LMNACCR1CCR8CCR5 | |
| Quinoline SCHEMBL9684173 | 0.80 | ALDH1A1 (0.90) | ALDH1A1LMNACCR1CCR8CCR5 | |
| Quinoline SCHEMBL29822171 | 0.79 | ALDH1A1 (1.00) | ALDH1A1LMNACCR1CCR8CCR5 | |
| Quinoline SCHEMBL32661377 | 0.79 | ALDH1A1 (1.00) | ALDH1A1LMNACCR1CCR8CCR5 | |
| Quinoline SCHEMBL29349552 | 0.79 | ALDH1A1 (1.00) | ALDH1A1LMNACCR1CCR8CCR5 |
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-108948055-A | A kind of 8- methylquinoline is together with two boron compounds and preparation method thereof | 青岛大学 | 2018-12-07 | — | — | CN | claimed |
| CN-110003061-A | A kind of method of the hydrocarbon direct aminatin of methyl aromatic compound benzyl of iron catalysis | 河南农业大学 | 2019-07-12 | — | — | CN | disclosed |
| CN-108822135-A | A kind of synthetic method of the cyclosubstituted thieno of azepine [3,2-d] thiazole and its derivative | 湘潭大学 | 2018-11-16 | — | — | CN | disclosed |