Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KCNN4 | O15554 | 2/20 | 0.46 |
| ▸ | CES1 | P23141 | 3/20 | 0.42 |
| ▸ | HTR2A | P28223 | 1/20 | 0.42 |
| ▸ | HTR2C | P28335 | 1/20 | 0.42 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.42 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.42 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.42 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.42 |
| ▸ | KIF11 | P52732 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.40 |
| ▸ | SRC | P12931 | 1/20 | 0.39 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.37 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.37 |
| ▸ | CYP3A5 | P20815 | 1/20 | 0.37 |
| ▸ | KCNA3 | P22001 | 1/20 | 0.36 |
| ▸ | CES2 | O00748 | 1/20 | 0.36 |
| ▸ | MEN1 | O00255 | 1/20 | 0.36 |
| ▸ | GAA | P10253 | 1/20 | 0.36 |
| ▸ | MAPT | P10636 | 1/20 | 0.36 |
| ▸ | ALOX12 | P18054 | 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 | |
|---|---|---|---|---|
| SCHEMBL73256 | 0.84 | CYP2C9 (0.55) | KCNN4CES1HTR2AHTR2CADRA1A | |
| SCHEMBL242506 | 0.81 | CES1 (0.54) | CES1CYP2C9ALDH1A1SRCCYP1A2 | |
| Chlorobenzene SCHEMBL6243439 | 0.79 | CYP2C9 (0.50) | KCNN4CES1HTR2AHTR2CADRA1A | |
| SCHEMBL8800479 | 0.79 | KCNN4 (0.51) | KCNN4CES1CYP2C9KIF11ALDH1A1 | |
| SCHEMBL27304162 | 0.78 | KCNN4 (0.44) | KCNN4HTR2AHTR2CADRA1AOPRK1 | |
| SCHEMBL2798675 | 0.77 | CYP2C9 (0.50) | KCNN4CES1HTR2AHTR2CADRA1A | |
| SCHEMBL5873443 | 0.77 | CES1 (0.53) | CES1CYP2C9ALDH1A1CYP1A2CES2 | |
| SCHEMBL8801404 | 0.76 | ALDH1A1 (0.43) | CES1CYP2C9ALDH1A1SRCMEN1 | |
| SCHEMBL8800962 | 0.76 | ALDH1A1 (0.51) | CES1ALDH1A1SRCMEN1GAA | |
| SCHEMBL5510929 | 0.75 | NPC1 (0.45) | CES1KIF11MEN1MAPTKMT2A |
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-0772601-A1 | 4,5-SUBSTITUTED IMIDAZOLYL COMPOUNDS FOR THE TREATMENT OF INFLAMMATION | G.D. SEARLE & CO. (US) | 1997-05-14 | — | — | EP | disclosed |