Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ERN1 | O75460 | 2/20 | 0.44 |
| ▸ | TXNRD1 | Q16881 | 16/20 | 0.44 |
| ▸ | GSR | P00390 | 2/20 | 0.42 |
| ▸ | S1PR4 | O95977 | 2/20 | 0.41 |
| ▸ | MAPT | P10636 | 2/20 | 0.41 |
| ▸ | S1PR1 | P21453 | 2/20 | 0.41 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.41 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.41 |
| ▸ | RAB9A | P51151 | 1/20 | 0.41 |
| ▸ | GFER | P55789 | 1/20 | 0.41 |
| ▸ | PAX8 | Q06710 | 1/20 | 0.41 |
| ▸ | JAK2 | O60674 | 1/20 | 0.40 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.40 |
| ▸ | HTT | P42858 | 1/20 | 0.40 |
| ▸ | XDH | P47989 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL25236718 | 1.00 | ERN1 (0.44) | ERN1TXNRD1GSRS1PR4MAPT | |
| SCHEMBL23145177 | 0.83 | S1PR4 (0.46) | TXNRD1GSRS1PR4MAPTS1PR1 | |
| SCHEMBL23170916 | 0.78 | KMT2A (0.43) | ERN1TXNRD1S1PR4MAPTS1PR1 | |
| SCHEMBL15174711 | 0.78 | ERN1 (0.47) | ERN1TXNRD1GSRS1PR4MAPT | |
| SCHEMBL25238882 | 0.75 | CYP1A2 (0.41) | ERN1MAPT | |
| SCHEMBL9690645 | 0.74 | TDP1 (0.50) | ERN1MAPTMAPK1GFER | |
| SCHEMBL1848090 | 0.74 | TXNRD1 (0.58) | TXNRD1GSRS1PR4MAPTS1PR1 | |
| SCHEMBL29830024 | 0.74 | TXNRD1 (0.58) | TXNRD1GSRS1PR4MAPTS1PR1 | |
| SCHEMBL21512636 | 0.73 | ERN1 (0.45) | ERN1MAPT | |
| SCHEMBL30804897 | 0.73 | ERN1 (0.45) | ERN1MAPT |
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-118203585-A | Pharmaceutical use of ENPP1 inhibitors | 上海翊石医药科技有限公司 | 2024-06-18 | — | — | CN | disclosed |
| CN-117843633-A | Sulfoximine compounds, pharmaceutical compositions and uses thereof | 上海海和药物研究开发股份有限公司 | 2024-04-09 | — | — | CN | disclosed |
| CN-116262750-A | Aromatic heterocyclic compound and preparation method and application thereof | 上海翊石医药科技有限公司 | 2023-06-16 | — | — | CN | disclosed |