Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NFE2L2 | Q16236 | 5/20 | 0.36 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.36 |
| ▸ | ACHE | P22303 | 4/20 | 0.35 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.35 |
| ▸ | CYP2A6 | P11509 | 2/20 | 0.35 |
| ▸ | TP53 | P04637 | 3/20 | 0.34 |
| ▸ | TDP1 | Q9NUW8 | 3/20 | 0.34 |
| ▸ | CSNK2A1 | P68400 | 1/20 | 0.33 |
| ▸ | ALOX15 | P16050 | 3/20 | 0.32 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.32 |
| ▸ | MEN1 | O00255 | 1/20 | 0.31 |
| ▸ | LMNA | P02545 | 1/20 | 0.31 |
| ▸ | GAA | P10253 | 1/20 | 0.31 |
| ▸ | MAPT | P10636 | 1/20 | 0.31 |
| ▸ | HPGD | P15428 | 1/20 | 0.31 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.31 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.31 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.31 |
| ▸ | THRB | P10828 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL10187272 | 0.81 | TDP1 (0.48) | TRPA1ACHECYP1A2CYP2A6TP53 | |
| SCHEMBL12261261 | 0.79 | RPS6KA3 (0.41) | ACHETP53SMN1; SMN2 | |
| SCHEMBL13107429 | 0.76 | CES2 (0.43) | NFE2L2CYP1A2CYP2A6TDP1ALDH1A1 | |
| SCHEMBL7097753 | 0.73 | PPARG (0.38) | TP53TDP1ALOX15HSD17B10ALDH1A1 | |
| SCHEMBL25559695 | 0.73 | TRPA1 (0.36) | TRPA1ACHECYP1A2CYP2A6TP53 | |
| SCHEMBL10175432 | 0.73 | GABRA1 (0.38) | TRPA1CYP1A2CYP2A6TP53TDP1 | |
| SCHEMBL17366292 | 0.73 | MAP2K2 (0.33) | — | |
| SCHEMBL15805339 | 0.72 | CPS1 (0.44) | CYP1A2CYP2A6TDP1ALDH1A1MEN1 | |
| SCHEMBL2409646 | 0.71 | TDP1 (0.42) | TRPA1ACHECYP1A2CYP2A6TP53 | |
| SCHEMBL24088522 | 0.70 | DAO (0.32) | — |
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-2529793-A2 | Compositions for regulating or modulating quorum sensing in bacteria, methods of using the compounds, and methods of regulating or modulating quorum sensing in bacteria | Georgia State University Research Foundation, Inc. (US) | 2012-12-05 | — | — | EP | disclosed |