Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.68 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.68 |
| ▸ | NOS3 | P29474 | 1/20 | 0.45 |
| ▸ | NOS2 | P35228 | 1/20 | 0.45 |
| ▸ | CASP3 | P42574 | 2/20 | 0.41 |
| ▸ | MEN1 | O00255 | 3/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.40 |
| ▸ | PKM | P14618 | 1/20 | 0.40 |
| ▸ | DRD2 | P14416 | 1/20 | 0.39 |
| ▸ | DRD3 | P35462 | 1/20 | 0.39 |
| ▸ | MAPT | P10636 | 1/20 | 0.39 |
| ▸ | RECQL | P46063 | 1/20 | 0.39 |
| ▸ | PTPRC | P08575 | 1/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.38 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.38 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.38 |
| ▸ | CA12 | O43570 | 2/20 | 0.38 |
| ▸ | CA9 | Q16790 | 2/20 | 0.38 |
| ▸ | CA1 | P00915 | 1/20 | 0.38 |
| ▸ | CA2 | P00918 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL22978813 | 1.00 | ALDH1A1 (0.68) | ALDH1A1KDM4ENOS3NOS2CASP3 | |
| SCHEMBL22995933 | 0.83 | ALDH1A1 (0.68) | ALDH1A1KDM4ENOS2CASP3MEN1 | |
| SCHEMBL14919523 | 0.81 | ALDH1A1 (1.00) | ALDH1A1KDM4ENOS3NOS2CASP3 | |
| SCHEMBL30952110 | 0.81 | ALDH1A1 (1.00) | ALDH1A1KDM4ENOS3NOS2CASP3 | |
| SCHEMBL22978809 | 0.74 | NOS2 (0.62) | ALDH1A1KDM4ENOS3NOS2DRD2 | |
| SCHEMBL19025778 | 0.73 | ALDH1A1 (0.72) | ALDH1A1KDM4ECASP3MEN1KMT2A | |
| SCHEMBL14933961 | 0.71 | ALDH1A1 (0.76) | ALDH1A1KDM4ENOS3NOS2CASP3 | |
| SCHEMBL28607793 | 0.70 | KDM4E (0.67) | ALDH1A1KDM4ECASP3MEN1KMT2A | |
| SCHEMBL4165344 | 0.67 | CES1 (0.61) | ALDH1A1KMT2APKMMAPTPTPRC | |
| SCHEMBL3307581 | 0.67 | NOS2 (0.53) | ALDH1A1KDM4ENOS3NOS2KMT2A |
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-112789276-B | Analgesic compounds, process for their preparation and their use in medicine | 上海海雁医药科技有限公司 | 2024-07-30 | — | — | CN | disclosed |