Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 2/20 | 0.50 |
| ▸ | KDM4E | B2RXH2 | 10/20 | 0.45 |
| ▸ | ALDH1A1 | P00352 | 8/20 | 0.45 |
| ▸ | HPGD | P15428 | 5/20 | 0.45 |
| ▸ | GAA | P10253 | 4/20 | 0.45 |
| ▸ | GLA | P06280 | 3/20 | 0.45 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.44 |
| ▸ | RXFP1 | Q9HBX9 | 2/20 | 0.43 |
| ▸ | LMNA | P02545 | 1/20 | 0.43 |
| ▸ | TP53 | P04637 | 1/20 | 0.43 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.42 |
| ▸ | MAPT | P10636 | 2/20 | 0.42 |
| ▸ | POLB | P06746 | 1/20 | 0.41 |
| ▸ | STAT6 | P42226 | 1/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.41 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.41 |
| ▸ | CA1 | P00915 | 2/20 | 0.40 |
| ▸ | CA2 | P00918 | 2/20 | 0.40 |
| ▸ | BRD4 | O60885 | 1/20 | 0.40 |
| ▸ | BRD2 | P25440 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL29168930 | 1.00 | TSHR (0.50) | TSHRKDM4EALDH1A1HPGDGAA | |
| SCHEMBL25075378 | 0.86 | TSHR (0.47) | TSHRKDM4EALDH1A1HPGDGAA | |
| SCHEMBL25075373 | 0.85 | TSHR (0.43) | TSHRKDM4EALDH1A1HPGDGAA | |
| SCHEMBL29169172 | 0.85 | TSHR (0.43) | TSHRKDM4EALDH1A1HPGDGAA | |
| SCHEMBL29169168 | 0.82 | TSHR (0.43) | TSHRKDM4EALDH1A1HPGDGAA | |
| SCHEMBL29169165 | 0.82 | TSHR (0.43) | TSHRKDM4EALDH1A1HPGDGAA | |
| SCHEMBL29169016 | 0.81 | BRD4 (0.48) | KDM4EALDH1A1HSD17B10MAPTBRD4 | |
| SCHEMBL29169021 | 0.81 | BRD4 (0.48) | KDM4EALDH1A1HSD17B10MAPTBRD4 | |
| SCHEMBL11639000 | 0.80 | ALDH1A1 (0.54) | TSHRKDM4EALDH1A1HPGDGAA | |
| SCHEMBL20594715 | 0.78 | TSHR (0.54) | TSHRKDM4EALDH1A1HPGDGAA |
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 |
|---|---|---|---|---|---|---|---|
| CN-117377665-A | PARP7 inhibitor and application thereof | 北京华森英诺生物科技有限公司 | 2024-01-09 | — | — | CN | disclosed |
| WO-2023020479-A1 | PARP7 INHIBITOR AND APPLICATION THEREOF | 重庆华森制药股份有限公司 | 2023-02-23 | — | — | WO | disclosed |