Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GRM5 | P41594 | 2/20 | 0.37 |
| ▸ | HDAC6 | Q9UBN7 | 4/20 | 0.37 |
| ▸ | RAF1 | P04049 | 1/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.35 |
| ▸ | GLA | P06280 | 1/20 | 0.35 |
| ▸ | GAA | P10253 | 1/20 | 0.35 |
| ▸ | HPGD | P15428 | 1/20 | 0.35 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.33 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.33 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.33 |
| ▸ | LMNA | P02545 | 1/20 | 0.33 |
| ▸ | PKM | P14618 | 1/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.33 |
| ▸ | CYP11B1 | P15538 | 1/20 | 0.32 |
| ▸ | CYP11B2 | P19099 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL8750808 | 0.72 | KDM4E (0.44) | GRM5HDAC6RAF1KDM4EALDH1A1 | |
| SCHEMBL31014598 | 0.72 | KDM4E (0.44) | GRM5HDAC6RAF1KDM4EALDH1A1 | |
| SCHEMBL28462165 | 0.72 | KDM4E (0.41) | KDM4EALDH1A1CYP11B1CYP11B2 | |
| SCHEMBL2981795 | 0.71 | CYP2A6 (0.51) | KDM4EALDH1A1GLAGAAHPGD | |
| SCHEMBL26099756 | 0.68 | FBP1 (0.36) | KDM4EALDH1A1GAAHPGDTDP1 | |
| SCHEMBL2779567 | 0.67 | NPC1 (0.38) | KDM4EALDH1A1GAAHPGDLMNA | |
| SCHEMBL7519732 | 0.65 | TSHR (0.37) | HDAC6KDM4EALDH1A1GLAGAA | |
| SCHEMBL3506921 | 0.65 | KMT2A (0.41) | GRM5HDAC6RAF1KDM4EALDH1A1 | |
| SCHEMBL1982712 | 0.64 | GRM5 (0.57) | GRM5ALDH1A1LMNA | |
| SCHEMBL936524 | 0.63 | CYP11B1 (0.47) | RAF1KDM4EALDH1A1GAAL3MBTL1 |
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-111629728-A | Compounds and methods for modulating adenosine A2B receptor and adenosine A2A receptor | 科尔沃斯制药股份有限公司 | 2020-09-04 | — | — | CN | disclosed |