Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HSP90AA1 | P07900 | 2/20 | 0.50 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.50 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.49 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.49 |
| ▸ | GAA | P10253 | 2/20 | 0.49 |
| ▸ | AKR1B1 | P15121 | 1/20 | 0.47 |
| ▸ | NCK1 | P16333 | 1/20 | 0.47 |
| ▸ | BACE1 | P56817 | 1/20 | 0.47 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.44 |
| ▸ | CXCR5 | P32302 | 1/20 | 0.44 |
| ▸ | APLNR | P35414 | 1/20 | 0.44 |
| ▸ | RAB9A | P51151 | 1/20 | 0.44 |
| ▸ | CCR6 | P51684 | 1/20 | 0.44 |
| ▸ | GFER | P55789 | 1/20 | 0.44 |
| ▸ | RAPGEF4 | Q8WZA2 | 1/20 | 0.43 |
| ▸ | MAPT | P10636 | 3/20 | 0.43 |
| ▸ | HPGD | P15428 | 2/20 | 0.42 |
| ▸ | HTT | P42858 | 2/20 | 0.41 |
| ▸ | POLB | P06746 | 1/20 | 0.41 |
| ▸ | MEN1 | O00255 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL28446740 | 0.88 | HSP90AA1 (0.46) | HSP90AA1KDM4EALDH1A1GAAAKR1B1 | |
| SCHEMBL28437060 | 0.85 | PKM (0.49) | HSP90AA1KDM4EALDH1A1GAAAKR1B1 | |
| SCHEMBL28440582 | 0.83 | KDM4E (0.57) | HSP90AA1KDM4EALDH1A1GAAAKR1B1 | |
| SCHEMBL28442986 | 0.81 | POLB (0.54) | KDM4EALDH1A1GAARAB9AMAPT | |
| SCHEMBL20921204 | 0.81 | CYP1A2 (0.55) | CYP1A2KDM4EALDH1A1GAANCK1 | |
| SCHEMBL9238032 | 0.73 | ADORA3 (0.46) | CYP1A2KDM4EALDH1A1GAAAKR1B1 | |
| SCHEMBL9287687 | 0.72 | GAA (0.52) | HSP90AA1KDM4EALDH1A1GAAAKR1B1 | |
| SCHEMBL10057584 | 0.71 | CYP1A2 (0.61) | CYP1A2KDM4EALDH1A1NCK1BACE1 | |
| SCHEMBL9413719 | 0.70 | GAA (0.73) | HSP90AA1ALDH1A1GAAKMT2ARAPGEF4 | |
| SCHEMBL8016026 | 0.69 | KMT2A (0.49) | HSP90AA1KDM4EALDH1A1GAAAKR1B1 |
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-109096186-B | Synthesis method of 2-arylsulfonyl quinoline derivative | 中南大学 | 2020-08-04 | — | — | CN | disclosed |