Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.44 |
| ▸ | MAPT | P10636 | 2/20 | 0.44 |
| ▸ | GAA | P10253 | 1/20 | 0.44 |
| ▸ | CA12 | O43570 | 4/20 | 0.43 |
| ▸ | CA1 | P00915 | 4/20 | 0.43 |
| ▸ | CA2 | P00918 | 4/20 | 0.43 |
| ▸ | CA7 | P43166 | 4/20 | 0.43 |
| ▸ | CA9 | Q16790 | 4/20 | 0.43 |
| ▸ | CA14 | Q9ULX7 | 4/20 | 0.43 |
| ▸ | ESR1 | P03372 | 1/20 | 0.43 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.42 |
| ▸ | HPGD | P15428 | 3/20 | 0.42 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.42 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.40 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.40 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.40 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.40 |
| ▸ | RECQL | P46063 | 1/20 | 0.40 |
| ▸ | MAPK10 | P53779 | 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 | |
|---|---|---|---|---|
| SCHEMBL24376040 | 0.85 | ALDH1A1 (0.46) | ALDH1A1MAPTGAACA12CA1 | |
| SCHEMBL28565106 | 0.82 | SMN1; SMN2 (0.42) | ALDH1A1MAPTGAACA12CA1 | |
| SCHEMBL28567653 | 0.82 | LMNA (0.45) | ALDH1A1MAPTGAAKDM4EHPGD | |
| SCHEMBL31332941 | 0.82 | KDM4E (0.44) | ALDH1A1MAPTGAACA12CA1 | |
| SCHEMBL31332978 | 0.80 | KDM4E (0.52) | ALDH1A1MAPTGAAKDM4EHPGD | |
| SCHEMBL27462584 | 0.78 | KDM4E (0.42) | ALDH1A1MAPTGAACA12CA1 | |
| SCHEMBL2145481 | 0.74 | SMN1; SMN2 (0.56) | MAPTCA12CA1CA2CA7 | |
| SCHEMBL1992837 | 0.72 | ALDH1A1 (0.45) | ALDH1A1MAPTKDM4EHPGDHSD17B10 | |
| SCHEMBL31332883 | 0.71 | ALDH1A1 (0.43) | ALDH1A1MAPTGAACA12CA1 | |
| SCHEMBL9126131 | 0.70 | RAB9A (0.57) | ALDH1A1MAPTCA12CA1CA2 |
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-112778311-B | Nitrogen-containing fused ring derivative inhibitor, preparation method and application thereof | 上海翰森生物医药科技有限公司 | 2024-06-04 | — | — | CN | disclosed |
| CN-112778311-A | Nitrogen-containing fused ring derivative inhibitor, preparation method and application thereof | 上海翰森生物医药科技有限公司 | 2021-05-11 | — | — | CN | disclosed |