Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.49 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.48 |
| ▸ | CMA1 | P23946 | 1/20 | 0.48 |
| ▸ | POLB | P06746 | 2/20 | 0.47 |
| ▸ | LPO | P22079 | 3/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.46 |
| ▸ | GAA | P10253 | 2/20 | 0.46 |
| ▸ | PKM | P14618 | 1/20 | 0.46 |
| ▸ | PTK2 | Q05397 | 1/20 | 0.45 |
| ▸ | HCAR3 | P49019 | 1/20 | 0.45 |
| ▸ | MEN1 | O00255 | 1/20 | 0.44 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.44 |
| ▸ | NR1H2 | P55055 | 1/20 | 0.43 |
| ▸ | NR1H3 | Q13133 | 1/20 | 0.43 |
| ▸ | PTGER4 | P35408 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL27802370 | 0.85 | CNR2 (0.50) | SIGMAR1CMA1POLBALDH1A1GAA | |
| SCHEMBL3326163 | 0.79 | GRM2 (0.47) | KMT2AALDH1A1GAAMEN1KDM4E | |
| SCHEMBL3321570 | 0.79 | GRM2 (0.49) | KMT2APOLBALDH1A1PTK2MEN1 | |
| SCHEMBL29136190 | 0.74 | LPO (0.54) | SIGMAR1KMT2ACMA1POLBLPO | |
| SCHEMBL30616062 | 0.71 | KMT2A (0.62) | SIGMAR1KMT2ACMA1POLBLPO | |
| SCHEMBL29093447 | 0.71 | KMT2A (0.62) | SIGMAR1KMT2ACMA1POLBLPO | |
| SCHEMBL570746 | 0.69 | SLC9A1 (0.44) | KMT2AALDH1A1GAAMEN1KDM4E | |
| SCHEMBL30218812 | 0.69 | KMT2A (0.63) | SIGMAR1KMT2ACMA1POLBLPO | |
| SCHEMBL6087249 | 0.69 | KMT2A (0.63) | SIGMAR1KMT2ACMA1POLBLPO | |
| SCHEMBL29136202 | 0.69 | KMT2A (0.55) | SIGMAR1KMT2ACMA1POLBLPO |
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-117003739-A | Nitrogen-containing heterocyclic compound, preparation method and application thereof | 安徽中医药大学 | 2023-11-07 | — | — | CN | disclosed |