Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.33 |
| ▸ | POLB | P06746 | 2/20 | 0.33 |
| ▸ | GAA | P10253 | 1/20 | 0.33 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.33 |
| ▸ | NOTUM | Q6P988 | 1/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.32 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.32 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.32 |
| ▸ | CA12 | O43570 | 1/20 | 0.31 |
| ▸ | CA1 | P00915 | 1/20 | 0.31 |
| ▸ | CA2 | P00918 | 1/20 | 0.31 |
| ▸ | CA9 | Q16790 | 1/20 | 0.31 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.30 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.30 |
| ▸ | HPGD | P15428 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL23385650 | 1.00 | ALDH1A1 (0.33) | ALDH1A1POLBGAAL3MBTL1NOTUM | |
| SCHEMBL22578076 | 0.79 | — | — | |
| SCHEMBL17621259 | 0.75 | ALDH1A1 (0.30) | ALDH1A1 | |
| SCHEMBL17467682 | 0.74 | ALDH1A1 (0.32) | ALDH1A1 | |
| SCHEMBL6687949 | 0.73 | SIGMAR1 (0.40) | ALDH1A1POLBSMN1; SMN2KDM4EADRA2A | |
| SCHEMBL29656766 | 0.71 | HSD11B1 (0.33) | POLB | |
| SCHEMBL23385911 | 0.71 | HSD11B1 (0.33) | POLB | |
| SCHEMBL1979578 | 0.70 | POLB (0.37) | ALDH1A1POLBGAAL3MBTL1SMN1; SMN2 | |
| SCHEMBL10257396 | 0.70 | CYP1A2 (0.39) | ALDH1A1POLBGAAL3MBTL1 | |
| SCHEMBL3810521 | 0.67 | ALDH1A1 (0.46) | ALDH1A1POLBGAAL3MBTL1SMN1; 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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-114630832-A | Pyrimido-cyclic derivative and application thereof in medicine | 四川海思科制药有限公司 | 2022-06-14 | — | — | CN | disclosed |