Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.79 |
| ▸ | RECQL | P46063 | 2/20 | 0.79 |
| ▸ | CA4 | P22748 | 1/20 | 0.58 |
| ▸ | DRD2 | P14416 | 1/20 | 0.58 |
| ▸ | DRD4 | P21917 | 1/20 | 0.58 |
| ▸ | DRD3 | P35462 | 1/20 | 0.58 |
| ▸ | GAA | P10253 | 1/20 | 0.55 |
| ▸ | KCNA3 | P22001 | 1/20 | 0.54 |
| ▸ | RAB9A | P51151 | 3/20 | 0.53 |
| ▸ | MAPT | P10636 | 2/20 | 0.53 |
| ▸ | NPC1 | O15118 | 2/20 | 0.53 |
| ▸ | MEN1 | O00255 | 1/20 | 0.53 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.53 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.53 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.53 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.53 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.53 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.53 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.53 |
| ▸ | KCNH2 | Q12809 | 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 | |
|---|---|---|---|---|
| Anisole SCHEMBL28841993 | 0.90 | ALDH1A1 (0.63) | ALDH1A1RECQLCA4DRD2DRD4 | |
| Phenoxyethanol SCHEMBL11243432 | 0.89 | ALDH1A1 (0.83) | ALDH1A1RECQLDRD2DRD4DRD3 | |
| Phenoxyethanol SCHEMBL7078024 | 0.89 | ALDH1A1 (0.91) | ALDH1A1RECQLGAAKCNA3RAB9A | |
| SCHEMBL77535 | 0.89 | ALDH1A1 (0.60) | ALDH1A1RECQLDRD2DRD4DRD3 | |
| Phenoxyethanol SCHEMBL15708 | 0.89 | ALDH1A1 (1.00) | ALDH1A1RECQLDRD2DRD4DRD3 | |
| Phenoxyethanol SCHEMBL167128 | 0.89 | ALDH1A1 (1.00) | ALDH1A1RECQLDRD2DRD4DRD3 | |
| Phenoxyethanol SCHEMBL9349725 | 0.89 | ALDH1A1 (1.00) | ALDH1A1RECQLDRD2DRD4DRD3 | |
| Phenoxyethanol SCHEMBL27476573 | 0.89 | ALDH1A1 (1.00) | ALDH1A1RECQLDRD2DRD4DRD3 | |
| Phenoxyethanol SCHEMBL15666459 | 0.87 | RECQL (0.86) | ALDH1A1RECQLGAAKCNA3LTA4H | |
| Phenoxyethanol SCHEMBL5712908 | 0.87 | RECQL (0.86) | ALDH1A1RECQLGAAKCNA3LTA4H |
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-108079980-A | A kind of chromatographic column and preparation and application with hydrophobicity brush-type polymer coating | 中国科学院大连化学物理研究所 | 2018-05-29 | — | — | CN | disclosed |