Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2A6 | P11509 | 2/20 | 0.61 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.61 |
| ▸ | KIF11 | P52732 | 2/20 | 0.41 |
| ▸ | MMP3 | P08254 | 1/20 | 0.41 |
| ▸ | CYP11B2 | P19099 | 2/20 | 0.40 |
| ▸ | CYP11B1 | P15538 | 1/20 | 0.40 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.39 |
| ▸ | EGLN2 | Q96KS0 | 1/20 | 0.39 |
| ▸ | GAA | P10253 | 2/20 | 0.39 |
| ▸ | KDM1A | O60341 | 3/20 | 0.38 |
| ▸ | BCHE | P06276 | 1/20 | 0.37 |
| ▸ | ACHE | P22303 | 1/20 | 0.37 |
| ▸ | MAPKAPK2 | P49137 | 1/20 | 0.37 |
| ▸ | TP53 | P04637 | 1/20 | 0.37 |
| ▸ | MEN1 | O00255 | 1/20 | 0.36 |
| ▸ | MAPT | P10636 | 1/20 | 0.36 |
| ▸ | RECQL | P46063 | 1/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.36 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.36 |
| ▸ | ERBB2 | P04626 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| Water SCHEMBL28512959 | 0.81 | CYP2A6 (0.84) | CYP2A6ALDH1A1KIF11MMP3CYP11B2 | |
| SCHEMBL12377032 | 0.81 | CYP2A6 (0.84) | CYP2A6ALDH1A1KIF11MMP3CYP11B2 | |
| SCHEMBL91813 | 0.81 | CYP2A6 (0.84) | CYP2A6ALDH1A1KIF11MMP3CYP11B2 | |
| SCHEMBL27329500 | 0.78 | CYP2A6 (1.00) | CYP2A6ALDH1A1KIF11MMP3CYP11B2 | |
| P-Xylene SCHEMBL3926102 | 0.78 | CYP2A6 (1.00) | CYP2A6ALDH1A1KIF11MMP3CYP11B2 | |
| SCHEMBL46818 | 0.78 | — | — | |
| SCHEMBL21159964 | 0.77 | LOXL2 (0.39) | CYP2A6ALDH1A1KIF11MMP3CYP11B2 | |
| SCHEMBL28089251 | 0.76 | CYP2A6 (0.94) | CYP2A6ALDH1A1KIF11MMP3CYP11B2 | |
| SCHEMBL21625337 | 0.75 | NPC1 (0.45) | ALDH1A1ACHEMEN1MAPTKMT2A | |
| Cyanide SCHEMBL6561699 | 0.74 | CYP2A6 (0.89) | CYP2A6ALDH1A1KIF11MMP3CYP11B2 |
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 |
|---|---|---|---|---|---|---|---|
| EP-2799516-B1 | LIQUID CRYSTAL MATERIAL OF SMECTIC PHASE IN HIGH SCATTERING STATE AND DISPLAY DEVICE THEREOF | HALATION PHOTONICS CORP (CN) | 2019-02-20 | — | — | EP | disclosed |