Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADORA1 | P30542 | 3/20 | 0.49 |
| ▸ | MKNK1 | Q9BUB5 | 1/20 | 0.46 |
| ▸ | MKNK2 | Q9HBH9 | 1/20 | 0.46 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.46 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.46 |
| ▸ | HPGD | P15428 | 1/20 | 0.46 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.46 |
| ▸ | PTK2B | Q14289 | 1/20 | 0.46 |
| ▸ | ADORA2A | P29274 | 3/20 | 0.44 |
| ▸ | MAPT | P10636 | 2/20 | 0.44 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.44 |
| ▸ | MEN1 | O00255 | 1/20 | 0.40 |
| ▸ | CASP3 | P42574 | 1/20 | 0.40 |
| ▸ | BLM | P54132 | 1/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.40 |
| ▸ | NCOA1 | Q15788 | 1/20 | 0.40 |
| ▸ | SENP8 | Q96LD8 | 1/20 | 0.40 |
| ▸ | SENP7 | Q9BQF6 | 1/20 | 0.40 |
| ▸ | SENP6 | Q9GZR1 | 1/20 | 0.40 |
| ▸ | NCOA3 | Q9Y6Q9 | 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 | |
|---|---|---|---|---|
| SCHEMBL28293324 | 0.88 | ALDH1A1 (0.46) | ADORA1MKNK1MKNK2HPGDADORA2A | |
| SCHEMBL29974706 | 0.76 | ADORA1 (0.44) | ADORA1MKNK1MKNK2CYP1A2CYP2C9 | |
| SCHEMBL23579132 | 0.76 | ADORA1 (0.44) | ADORA1MKNK1MKNK2CYP1A2CYP2C9 | |
| SCHEMBL15945813 | 0.74 | GRM2 (0.41) | ADORA1MKNK1MKNK2CYP1A2CYP2C9 | |
| SCHEMBL27649740 | 0.73 | PTGS2 (0.57) | ADORA1HPGDPTGS1PTGS2TOP1 | |
| SCHEMBL20657073 | 0.73 | HSD17B10 (0.57) | CYP1A2HPGDMAPTKDM4EMEN1 | |
| SCHEMBL4107003 | 0.72 | ALDH1A1 (0.57) | HPGDMAPTKDM4EMEN1KMT2A | |
| SCHEMBL18241028 | 0.71 | PTGS2 (0.55) | ADORA1HPGDPTGS1PTGS2TOP1 | |
| Hydrogen Sulfide SCHEMBL27719947 | 0.71 | PTGS2 (0.55) | ADORA1HPGDPTGS1PTGS2TOP1 | |
| SCHEMBL28496939 | 0.70 | TDO2 (0.42) | ADORA1HPGDMAPTKDM4EMEN1 |
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-109776590-A | A kind of organic photoelectrical material and its application | 中节能万润股份有限公司 | 2019-05-21 | — | — | CN | disclosed |