Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | FAAH | O00519 | 8/20 | 0.31 |
| ▸ | GRIK1 | P39086 | 1/20 | 0.31 |
| ▸ | GRIK2 | Q13002 | 1/20 | 0.31 |
| ▸ | CES1 | P23141 | 5/20 | 0.30 |
| ▸ | CES2 | O00748 | 2/20 | 0.30 |
| ▸ | MEN1 | O00255 | 1/20 | 0.30 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.30 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.30 |
| ▸ | HSD17B10 | Q99714 | 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 | |
|---|---|---|---|---|
| SCHEMBL2852706 | 0.79 | GRIK1 (0.35) | FAAHGRIK1GRIK2CES1CES2 | |
| SCHEMBL2852703 | 0.79 | GRIK1 (0.35) | FAAHGRIK1GRIK2CES1CES2 | |
| SCHEMBL13560398 | 0.75 | TDP1 (0.30) | — | |
| SCHEMBL13560395 | 0.75 | TDP1 (0.30) | — | |
| SCHEMBL27757791 | 0.74 | MAPT (0.41) | MEN1KMT2A | |
| SCHEMBL27576280 | 0.72 | NPSR1 (0.39) | CES1CES2MEN1CYP1A2KMT2A | |
| SCHEMBL28251374 | 0.71 | — | — | |
| SCHEMBL11110589 | 0.70 | — | — | |
| SCHEMBL25078268 | 0.70 | — | — | |
| SCHEMBL8661877 | 0.69 | — | — |
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-2970163-B1 | 5-THIAZOLECARBOXAMIDE DERVATIVES AND THEIR USE AS BTK INHIBITORS | BOEHRINGER INGELHEIM INT (DE) | 2018-02-28 | — | — | EP | disclosed |