Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | STS | P08842 | 1/20 | 0.38 |
| ▸ | CYP2B6 | P20813 | 3/20 | 0.36 |
| ▸ | MAOA | P21397 | 1/20 | 0.33 |
| ▸ | MLNR | O43193 | 2/20 | 0.32 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.32 |
| ▸ | MEN1 | O00255 | 1/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.32 |
| ▸ | MAPT | P10636 | 1/20 | 0.32 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.32 |
| ▸ | HRH1 | P35367 | 1/20 | 0.32 |
| ▸ | CYP1A1 | P04798 | 1/20 | 0.31 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.31 |
| ▸ | CYP1B1 | Q16678 | 1/20 | 0.31 |
| ▸ | ABCG2 | Q9UNQ0 | 1/20 | 0.30 |
| ▸ | ITGB2 | P05107 | 1/20 | 0.30 |
| ▸ | ICAM1 | P05362 | 1/20 | 0.30 |
| ▸ | ITGAL | P20701 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL11135785 | 0.85 | CYP2B6 (0.43) | STSCYP2B6KDM4EMEN1ALDH1A1 | |
| SCHEMBL2281562 | 0.85 | CYP2B6 (0.43) | STSCYP2B6KDM4EMEN1ALDH1A1 | |
| SCHEMBL29364609 | 0.85 | CYP2B6 (0.43) | STSCYP2B6KDM4EMEN1ALDH1A1 | |
| SCHEMBL9208 | 0.85 | CYP2B6 (0.43) | STSCYP2B6KDM4EMEN1ALDH1A1 | |
| SCHEMBL2289180 | 0.85 | CYP2B6 (0.43) | STSCYP2B6KDM4EMEN1ALDH1A1 | |
| Water SCHEMBL8849440 | 0.83 | CYP2B6 (0.42) | STSCYP2B6KDM4EMEN1ALDH1A1 | |
| Iodide SCHEMBL11391336 | 0.83 | CYP2B6 (0.42) | STSCYP2B6KDM4EMEN1ALDH1A1 | |
| SCHEMBL323466 | 0.83 | CYP2B6 (0.42) | STSCYP2B6KDM4EMEN1ALDH1A1 | |
| SCHEMBL21064745 | 0.83 | CYP2B6 (0.42) | STSCYP2B6KDM4EMEN1ALDH1A1 | |
| Benzene SCHEMBL5574850 | 0.83 | CYP2B6 (0.42) | STSCYP2B6KDM4EMEN1ALDH1A1 |
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-1998034646-A2 | TARGETED ANTIOXIDANTS | UNIVERSITY OF HERTFORDSHIRE (GB) | 1998-08-13 | — | — | WO | disclosed |