Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GRIK1 | P39086 | 1/20 | 0.33 |
| ▸ | FAAH | O00519 | 3/20 | 0.32 |
| ▸ | TP53 | P04637 | 2/20 | 0.32 |
| ▸ | EP300 | Q09472 | 1/20 | 0.32 |
| ▸ | MEN1 | O00255 | 1/20 | 0.31 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.31 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.31 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.31 |
| ▸ | SOAT1 | P35610 | 1/20 | 0.31 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.31 |
| ▸ | CA1 | P00915 | 3/20 | 0.31 |
| ▸ | CA2 | P00918 | 3/20 | 0.31 |
| ▸ | CA9 | Q16790 | 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 | |
|---|---|---|---|---|
| SCHEMBL15846314 | 0.90 | CA1 (0.32) | CA1CA2 | |
| SCHEMBL15846660 | 0.87 | GRIK1 (0.34) | GRIK1FAAHTP53EP300MEN1 | |
| SCHEMBL5969455 | 0.85 | FNTA (0.35) | — | |
| SCHEMBL17289040 | 0.84 | — | — | |
| Trimethylammonium SCHEMBL6008893 | 0.83 | GRIK1 (0.32) | GRIK1FAAHTP53EP300MEN1 | |
| Trimethylammonium SCHEMBL6008898 | 0.83 | GRIK1 (0.32) | GRIK1FAAHTP53EP300MEN1 | |
| SCHEMBL21803848 | 0.83 | EP300 (0.42) | GRIK1FAAHTP53EP300MEN1 | |
| SCHEMBL180918 | 0.83 | EP300 (0.42) | GRIK1FAAHTP53EP300MEN1 | |
| SCHEMBL180917 | 0.83 | EP300 (0.42) | GRIK1FAAHTP53EP300MEN1 | |
| Hydrochloric Acid SCHEMBL15846375 | 0.81 | EP300 (0.41) | GRIK1FAAHTP53EP300MEN1 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2938641-A1 | MOLECULARLY IMPRINTED POLYMERS AND THEIR USE AS ANTIDANDRUFF AGENTS | L'Oréal (FR) | 2015-11-04 | — | — | EP | disclosed |
| WO-2014102206-A1 | MOLECULARLY IMPRINTED POLYMERS AND THEIR USE AS ANTIDANDRUFF AGENTS | L'OREAL (FR) | 2014-07-03 | — | — | WO | disclosed |