Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PGR | P06401 | 1/20 | 0.40 |
| ▸ | RORA | P35398 | 1/20 | 0.40 |
| ▸ | RORC | P51449 | 1/20 | 0.40 |
| ▸ | RORB | Q92753 | 1/20 | 0.40 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.37 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.37 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.36 |
| ▸ | NPC1 | O15118 | 1/20 | 0.36 |
| ▸ | GAA | P10253 | 1/20 | 0.36 |
| ▸ | RAB9A | P51151 | 1/20 | 0.36 |
| ▸ | MAPT | P10636 | 1/20 | 0.36 |
| ▸ | HTT | P42858 | 1/20 | 0.36 |
| ▸ | MEN1 | O00255 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.36 |
| ▸ | LDHA | P00338 | 1/20 | 0.35 |
| ▸ | LDHB | P07195 | 1/20 | 0.35 |
| ▸ | KIF11 | P52732 | 1/20 | 0.34 |
| ▸ | LTA4H | P09960 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL31081068 | 0.90 | LDHA (0.36) | PGRRORARORCRORBCYP1A2 | |
| SCHEMBL31080860 | 0.83 | KIF11 (0.38) | PGRRORARORCRORBCYP1A2 | |
| SCHEMBL8372908 | 0.76 | L3MBTL1 (0.42) | CYP1A2KDM4EGAAMAPTALDH1A1 | |
| SCHEMBL31081431 | 0.76 | LTA4H (0.39) | PGRRORARORCRORBCYP1A2 | |
| SCHEMBL20398502 | 0.76 | CYP1A2 (0.43) | PGRRORARORCRORBCYP1A2 | |
| SCHEMBL29053727 | 0.74 | LDHA (0.51) | PGRRORARORCRORBCYP1A2 | |
| SCHEMBL4645823 | 0.73 | MAPT (0.42) | CYP1A2CYP2C9MAPTALDH1A1CYP2D6 | |
| SCHEMBL20398701 | 0.71 | PGR (0.41) | PGRRORARORCRORBCYP1A2 | |
| SCHEMBL10591328 | 0.70 | IDO1 (0.55) | ALDH1A1CYP2D6 | |
| SCHEMBL20398529 | 0.70 | FAAH (0.43) | PGRRORARORCRORBCYP1A2 |
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-113454090-B | Compounds having a polycyclic aromatic skeleton and endoperoxide compounds thereof | 川崎化成工业株式会社 | 2024-08-23 | — | — | CN | disclosed |