Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.47 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.47 |
| ▸ | HPGD | P15428 | 1/20 | 0.47 |
| ▸ | CA12 | O43570 | 2/20 | 0.41 |
| ▸ | CA9 | Q16790 | 2/20 | 0.41 |
| ▸ | PARP1 | P09874 | 2/20 | 0.41 |
| ▸ | CASP7 | P55210 | 1/20 | 0.36 |
| ▸ | CASP6 | P55212 | 1/20 | 0.36 |
| ▸ | CASP8 | Q14790 | 1/20 | 0.36 |
| ▸ | IDO1 | P14902 | 3/20 | 0.35 |
| ▸ | LMNA | P02545 | 1/20 | 0.35 |
| ▸ | MAPT | P10636 | 1/20 | 0.35 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.35 |
| ▸ | TSHR | P16473 | 1/20 | 0.35 |
| ▸ | THPO | P40225 | 1/20 | 0.35 |
| ▸ | MTOR | P42345 | 1/20 | 0.35 |
| ▸ | HTT | P42858 | 1/20 | 0.35 |
| ▸ | HBB | P68871 | 1/20 | 0.35 |
| ▸ | PMP22 | Q01453 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL30504341 | 1.00 | KDM4E (0.47) | KDM4EALDH1A1SMN1; SMN2HPGDCA12 | |
| SCHEMBL29909400 | 0.93 | ALDH1A1 (0.47) | KDM4EALDH1A1SMN1; SMN2HPGDCA12 | |
| SCHEMBL2731858 | 0.93 | ALDH1A1 (0.47) | KDM4EALDH1A1SMN1; SMN2HPGDCA12 | |
| SCHEMBL3426314 | 0.84 | KDM4E (0.53) | KDM4EALDH1A1SMN1; SMN2HPGDCA12 | |
| SCHEMBL7034913 | 0.84 | KDM4E (0.53) | KDM4EALDH1A1SMN1; SMN2HPGDCA12 | |
| SCHEMBL22725084 | 0.82 | MAPT (0.42) | KDM4EALDH1A1SMN1; SMN2IDO1LMNA | |
| SCHEMBL31748445 | 0.82 | MAPT (0.42) | KDM4EALDH1A1SMN1; SMN2IDO1LMNA | |
| SCHEMBL13814616 | 0.78 | KDM4E (0.47) | KDM4EALDH1A1SMN1; SMN2HPGDCA12 | |
| SCHEMBL3668179 | 0.78 | KDM4E (0.47) | KDM4EALDH1A1SMN1; SMN2HPGDCA12 | |
| SCHEMBL7021184 | 0.74 | KDM4E (0.47) | KDM4EALDH1A1SMN1; SMN2HPGDCA12 |
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-2023083269-A1 | AROMATIC HETEROCYCLIC COMPOUND AND APPLICATION THEREOF | 中国科学院上海药物研究所 | 2023-05-19 | — | — | WO | disclosed |
| WO-2023083269-A1 | AROMATIC HETEROCYCLIC COMPOUND AND APPLICATION THEREOF | 中国科学院上海药物研究所 | 2023-05-19 | — | — | WO | disclosed |