Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 5/20 | 0.41 |
| ▸ | CYP2A6 | P11509 | 4/20 | 0.41 |
| ▸ | POLB | P06746 | 1/20 | 0.39 |
| ▸ | TSHR | P16473 | 3/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.37 |
| ▸ | HSD17B10 | Q99714 | 5/20 | 0.37 |
| ▸ | HIF1A | Q16665 | 2/20 | 0.37 |
| ▸ | CYP1B1 | Q16678 | 1/20 | 0.37 |
| ▸ | HPGD | P15428 | 3/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.36 |
| ▸ | GAA | P10253 | 1/20 | 0.36 |
| ▸ | GRIN2D | O15399 | 1/20 | 0.35 |
| ▸ | GRIN2A | Q12879 | 1/20 | 0.35 |
| ▸ | GRIN2C | Q14957 | 1/20 | 0.35 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.34 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.34 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.34 |
| ▸ | CASP1 | P29466 | 1/20 | 0.34 |
| ▸ | RAB9A | P51151 | 1/20 | 0.34 |
| ▸ | CASP7 | P55210 | 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 | |
|---|---|---|---|---|
| SCHEMBL10883903 | 0.79 | CYP1A2 (0.48) | CYP1A2CYP2A6POLBTSHRALDH1A1 | |
| SCHEMBL12925915 | 0.79 | ALDH1A1 (0.44) | CYP1A2CYP2A6POLBTSHRALDH1A1 | |
| SCHEMBL30576383 | 0.79 | CYP1A2 (0.48) | CYP1A2CYP2A6POLBTSHRALDH1A1 | |
| SCHEMBL19063378 | 0.76 | ALDH1A1 (0.41) | CYP1A2CYP2A6POLBTSHRALDH1A1 | |
| SCHEMBL28718547 | 0.76 | POLB (0.48) | CYP1A2POLBALDH1A1HSD17B10HIF1A | |
| SCHEMBL13601825 | 0.76 | POLB (0.39) | CYP1A2CYP2A6POLBTSHRALDH1A1 | |
| SCHEMBL19616917 | 0.76 | POLB (0.53) | CYP1A2CYP2A6POLBTSHRALDH1A1 | |
| SCHEMBL30064932 | 0.76 | POLB (0.53) | CYP1A2CYP2A6POLBTSHRALDH1A1 | |
| SCHEMBL20180020 | 0.75 | CYP2A6 (0.45) | CYP1A2CYP2A6TSHRALDH1A1HSD17B10 | |
| SCHEMBL19617285 | 0.73 | ALDH1A1 (0.47) | CYP1A2CYP2A6ALDH1A1HSD17B10HIF1A |
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 |
|---|---|---|---|---|---|---|---|
| WO-2007084373-A2 | SEPARATION OF FULLERENE C60 AND C70 USING CRYSTALLIZATION | THE HONG KONG UNIVERSITY OF SCIENCE AND TECHNOLOGY (CN) | 2007-07-26 | — | — | WO | disclosed |