Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CES2 | O00748 | 5/20 | 0.46 |
| ▸ | CES1 | P23141 | 5/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.45 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.45 |
| ▸ | GAA | P10253 | 1/20 | 0.41 |
| ▸ | CNR2 | P34972 | 2/20 | 0.40 |
| ▸ | HDAC4 | P56524 | 3/20 | 0.39 |
| ▸ | MEN1 | O00255 | 2/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.36 |
| ▸ | NPC1 | O15118 | 1/20 | 0.35 |
| ▸ | RAB9A | P51151 | 1/20 | 0.35 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.35 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.35 |
| ▸ | IDO1 | P14902 | 1/20 | 0.34 |
| ▸ | TDO2 | P48775 | 1/20 | 0.34 |
| ▸ | MAPT | P10636 | 1/20 | 0.34 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL30888308 | 0.82 | CES2 (0.47) | CES2CES1ALDH1A1ALOX15GAA | |
| SCHEMBL3635938 | 0.82 | CES2 (0.47) | CES2CES1ALDH1A1ALOX15GAA | |
| SCHEMBL8127998 | 0.82 | CES2 (0.47) | CES2CES1ALDH1A1ALOX15GAA | |
| SCHEMBL7470109 | 0.80 | GAA (0.49) | CES2CES1ALDH1A1ALOX15GAA | |
| SCHEMBL11965195 | 0.80 | CES2 (0.46) | CES2CES1ALDH1A1ALOX15GAA | |
| SCHEMBL7724344 | 0.79 | CES2 (0.48) | CES2CES1ALDH1A1ALOX15GAA | |
| SCHEMBL9297918 | 0.78 | ACP3 (0.42) | CES2CES1ALDH1A1MEN1KMT2A | |
| SCHEMBL29362410 | 0.78 | CES2 (0.61) | CES2CES1ALDH1A1ALOX15GAA | |
| SCHEMBL9297917 | 0.78 | ACP3 (0.42) | CES2CES1ALDH1A1MEN1KMT2A | |
| SCHEMBL1885454 | 0.78 | CES2 (0.47) | CES2CES1ALDH1A1ALOX15GAA |
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 9 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-105051036-B | Flavonoid or isoflavone compound and application thereof | 上海正基医药科技有限公司 | 2017-09-29 | — | — | CN | disclosed |
| EP-1212324-B1 | IMIDAZO-TRIAZINE DERIVATIVES AS LIGANDS FOR GABA RECEPTORS | MERCK SHARP & DOHME (GB) | 2003-10-29 | — | — | EP | disclosed |
| US-6608062-B1 | Ligands for gamma-aminobutyric acid receptors; treatment and/or prevention of central nervous system disorders, including anxiety | MERCK SHARP & DOHME LTD. | 2003-08-19 | — | — | US | disclosed |
| EP-1212324-A1 | IMIDAZO-TRIAZINE DERIVATIVES AS LIGANDS FOR GABA RECEPTORS | MERCK SHARP & DOHME LTD. (GB) | 2002-06-12 | — | — | EP | disclosed |
| WO-2001014377-A1 | IMIDAZO-TRIAZINE DERIVATIVES AS LIGANDS FOR GABA RECEPTORS | MERCK SHARP & DOHME LIMITED (GB) | 2001-03-01 | — | — | WO | disclosed |
| CN-1039713-C | 3-chloroheterobicyclo [3.1.0] hexane-2-one derivatives and herbicidal compositions containing them as herbicidal active ingredients | MITSUI TOATSU CHEMICALS (JP) | 1998-09-09 | — | — | CN | disclosed |
| EP-0600507-B1 | 3-Azabicyclo(3.1.0.)hexane-2-one derivatives and Herbicidal Compositions Containing them as Herbicidally Active Ingredients | MITSUI TOATSU CHEMICALS (JP) | 1996-03-06 | — | — | EP | disclosed |
| US-5352655-A | Pre- and postemergence; rice | MITSUI TOATSU CHEMICALS, INCORPORATED (JP) | 1994-10-04 | — | — | US | disclosed |
| EP-0600507-A1 | 3-Azabicyclo(3.1.0.)hexane-2-one derivatives and Herbicidal Compositions Containing them as Herbicidally Active Ingredients | MITSUI TOATSU CHEMICALS, Inc. (JP) | 1994-06-08 | — | — | EP | disclosed |