Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TXNRD1 | Q16881 | 1/20 | 0.51 |
| ▸ | TXNRD3 | Q86VQ6 | 1/20 | 0.51 |
| ▸ | TXNRD2 | Q9NNW7 | 1/20 | 0.51 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.47 |
| ▸ | TSHR | P16473 | 3/20 | 0.45 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.45 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.45 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.45 |
| ▸ | HTT | P42858 | 1/20 | 0.45 |
| ▸ | NAMPT | P43490 | 1/20 | 0.45 |
| ▸ | XDH | P47989 | 1/20 | 0.45 |
| ▸ | PDK1 | Q15118 | 1/20 | 0.44 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.42 |
| ▸ | GPR35 | Q9HC97 | 2/20 | 0.42 |
| ▸ | TP53 | P04637 | 1/20 | 0.42 |
| ▸ | HPGD | P15428 | 1/20 | 0.42 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.42 |
| ▸ | RIPK1 | Q13546 | 1/20 | 0.42 |
| ▸ | MAPT | P10636 | 1/20 | 0.41 |
| ▸ | CA2 | P00918 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL1011755 | 1.00 | TXNRD1 (0.51) | TXNRD1TXNRD3TXNRD2ALDH1A1TSHR | |
| SCHEMBL31106335 | 0.98 | TXNRD1 (0.50) | TXNRD1TXNRD3TXNRD2ALDH1A1TSHR | |
| SCHEMBL27507810 | 0.87 | TXNRD1 (0.41) | TXNRD1TXNRD3TXNRD2ALDH1A1TSHR | |
| SCHEMBL13165180 | 0.87 | MAPT (0.45) | TXNRD1TXNRD3TXNRD2ALDH1A1HTT | |
| SCHEMBL393608 | 0.86 | ALDH1A1 (0.53) | TXNRD1TXNRD3TXNRD2ALDH1A1TSHR | |
| Ammonia Solution, Strong SCHEMBL9639241 | 0.84 | ALDH1A1 (0.51) | TXNRD1TXNRD3TXNRD2ALDH1A1TSHR | |
| SCHEMBL8943066 | 0.84 | SMN1; SMN2 (0.40) | TXNRD1TXNRD3TXNRD2ALDH1A1TSHR | |
| SCHEMBL13127444 | 0.83 | CASP3 (0.41) | TXNRD1TXNRD3TXNRD2ALDH1A1TSHR | |
| Benzo[D]Thiazole SCHEMBL2404928 | 0.82 | ALDH1A1 (0.58) | TXNRD1TXNRD3TXNRD2ALDH1A1TSHR | |
| Coumarin SCHEMBL6157402 | 0.80 | LMNA (0.46) | TXNRD1TXNRD3TXNRD2ALDH1A1SMN1; SMN2 |
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-118359609-A | Heterocyclic compounds, their preparation and use | 益方生物科技(上海)股份有限公司 | 2024-07-19 | — | — | CN | disclosed |
| CN-114437065-A | Heterocyclic compounds, their preparation and use | 益方生物科技(上海)股份有限公司 | 2022-05-06 | — | — | CN | disclosed |
| EP-3972967-A1 | HETEROCYCLIC COMPOUNDS, PREPARATION METHODS AND USES THEREOF | InventisBio Co., Ltd. (CN) | 2022-03-30 | — | — | EP | disclosed |