Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | EPHX1 | P07099 | 5/20 | 0.37 |
| ▸ | HPGD | P15428 | 2/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.34 |
| ▸ | DAO | P14920 | 1/20 | 0.34 |
| ▸ | ADH1B | P00325 | 1/20 | 0.33 |
| ▸ | ADH1C | P00326 | 1/20 | 0.33 |
| ▸ | ADH1A | P07327 | 1/20 | 0.33 |
| ▸ | ADH4 | P08319 | 1/20 | 0.33 |
| ▸ | ADH7 | P40394 | 1/20 | 0.33 |
| ▸ | CHRM5 | P08912 | 2/20 | 0.31 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.31 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.31 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.31 |
| ▸ | CHRM4 | P08173 | 1/20 | 0.31 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.31 |
| ▸ | CES2 | O00748 | 1/20 | 0.31 |
| ▸ | CES1 | P23141 | 1/20 | 0.31 |
| ▸ | ALOX5 | P09917 | 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 | |
|---|---|---|---|---|
| SCHEMBL4041684 | 0.75 | ALDH1A1 (0.38) | EPHX1HPGDKMT2ADAOADH1B | |
| SCHEMBL7440315 | 0.69 | EPHX1 (0.39) | EPHX1DAOADH1BADH1CADH1A | |
| SCHEMBL8976389 | 0.66 | EPHX1 (0.35) | EPHX1DAOADH1BADH1CADH1A | |
| SCHEMBL21939440 | 0.65 | ADH1B (0.37) | EPHX1HPGDKMT2AADH1BADH1C | |
| SCHEMBL22823958 | 0.65 | — | — | |
| SCHEMBL8854127 | 0.65 | — | — | |
| SCHEMBL21094542 | 0.65 | ADH1B (0.37) | EPHX1HPGDKMT2AADH1BADH1C | |
| SCHEMBL7737936 | 0.65 | CYP1A2 (0.40) | EPHX1DAOADH1BADH1CADH1A | |
| SCHEMBL22068455 | 0.65 | ADH1B (0.37) | EPHX1HPGDKMT2AADH1BADH1C | |
| SCHEMBL19710662 | 0.65 | — | — |
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-2329018-B1 | METHOD FOR THE ANNOTATION OF NATURAL PRODUCT GENE-CLUSTERS AND FOR THE GENERATION OF NOVEL BIOLOGICALLY ACTIVE CHEMICAL ENTITIES FROM DNA SEQUENCES IN SILICO | GENQUAD AG (CH) | 2014-09-10 | — | — | EP | disclosed |