Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 1/20 | 0.42 |
| ▸ | GAA | P10253 | 4/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.41 |
| ▸ | GLA | P06280 | 2/20 | 0.41 |
| ▸ | ABL1 | P00519 | 1/20 | 0.41 |
| ▸ | MAPT | P10636 | 2/20 | 0.40 |
| ▸ | NQO2 | P16083 | 7/20 | 0.39 |
| ▸ | CFTR | P13569 | 2/20 | 0.39 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.39 |
| ▸ | HPGD | P15428 | 2/20 | 0.36 |
| ▸ | CASP1 | P29466 | 1/20 | 0.36 |
| ▸ | CASP7 | P55210 | 1/20 | 0.36 |
| ▸ | ATM | Q13315 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL31140734 | 1.00 | TSHR (0.42) | TSHRGAAALDH1A1KDM4EGLA | |
| SCHEMBL25784214 | 0.82 | TSHR (0.44) | TSHRGAAALDH1A1KDM4EGLA | |
| SCHEMBL2650690 | 0.82 | SMN1; SMN2 (0.40) | TSHRGAAALDH1A1KDM4EGLA | |
| SCHEMBL31140761 | 0.81 | TSHR (0.42) | TSHRGAAALDH1A1KDM4EGLA | |
| SCHEMBL5254344 | 0.81 | KDM4E (0.44) | TSHRGAAALDH1A1KDM4EGLA | |
| SCHEMBL25289336 | 0.81 | TSHR (0.42) | TSHRGAAALDH1A1KDM4EGLA | |
| SCHEMBL31140730 | 0.80 | NNMT (0.44) | TSHR | |
| SCHEMBL25284307 | 0.80 | NNMT (0.44) | TSHR | |
| SCHEMBL28981135 | 0.77 | TSHR (0.42) | TSHRGAAALDH1A1KDM4EGLA | |
| SCHEMBL30366755 | 0.77 | TSHR (0.42) | TSHRGAAALDH1A1KDM4EGLA |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2023116779-A1 | DIALKYNE COMPOUND AND USE THEREOF | 上海艾力斯医药科技股份有限公司 | 2023-06-29 | — | — | WO | disclosed |
| WO-2023116779-A1 | DIALKYNE COMPOUND AND USE THEREOF | 上海艾力斯医药科技股份有限公司 | 2023-06-29 | — | — | WO | disclosed |