Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.51 |
| ▸ | SYK | P43405 | 3/20 | 0.48 |
| ▸ | SLC26A6 | Q9BXS9 | 1/20 | 0.47 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.47 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.47 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.47 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.47 |
| ▸ | RAB9A | P51151 | 2/20 | 0.46 |
| ▸ | NPC1 | O15118 | 1/20 | 0.46 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.46 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.46 |
| ▸ | SIRT5 | Q9NXA8 | 7/20 | 0.43 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.42 |
| ▸ | MEN1 | O00255 | 1/20 | 0.42 |
| ▸ | LMNA | P02545 | 1/20 | 0.42 |
| ▸ | TP53 | P04637 | 1/20 | 0.42 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.42 |
| ▸ | TSHR | P16473 | 1/20 | 0.42 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.42 |
| ▸ | HTT | P42858 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL18168237 | 0.88 | PDE4B (0.50) | ALDH1A1SYKKDM4ECYP1A2CYP3A4 | |
| SCHEMBL22866255 | 0.87 | ALDH1A1 (0.55) | ALDH1A1SYKKDM4ECYP1A2CYP3A4 | |
| SCHEMBL2523948 | 0.84 | SYK (0.53) | ALDH1A1SYKKDM4ECYP1A2CYP3A4 | |
| SCHEMBL11582962 | 0.84 | ALDH1A1 (0.52) | ALDH1A1SYKKDM4ECYP1A2CYP3A4 | |
| SCHEMBL17764556 | 0.82 | SYK (0.51) | ALDH1A1SYKKDM4ERAB9ANPC1 | |
| SCHEMBL22261163 | 0.82 | JAK3 (0.55) | SYKCYP1A2JAK2JAK1TYK2 | |
| SCHEMBL29076116 | 0.81 | ALDH1A1 (0.49) | ALDH1A1SYKKDM4ECYP1A2CYP3A4 | |
| SCHEMBL23620399 | 0.80 | SYK (0.54) | ALDH1A1SYKKDM4ENPC1MEN1 | |
| SCHEMBL14810384 | 0.80 | KDM4E (0.57) | ALDH1A1SYKKDM4ENPC1MEN1 | |
| SCHEMBL654492 | 0.80 | SYK (0.49) | ALDH1A1SYKKDM4ERAB9ANPC1 |
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-113801139-A | Pyrimido-oxazine derivatives as RSK inhibitors and uses thereof | 华东理工大学 | 2021-12-17 | — | — | CN | disclosed |