Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAPK1 | P28482 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.38 |
| ▸ | HTT | P42858 | 2/20 | 0.38 |
| ▸ | GAA | P10253 | 1/20 | 0.38 |
| ▸ | MAPT | P10636 | 5/20 | 0.36 |
| ▸ | PKM | P14618 | 1/20 | 0.36 |
| ▸ | LMNA | P02545 | 1/20 | 0.36 |
| ▸ | PRNP | P04156 | 1/20 | 0.36 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.36 |
| ▸ | TSHR | P16473 | 1/20 | 0.36 |
| ▸ | PPARG | P37231 | 1/20 | 0.36 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.36 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.36 |
| ▸ | NR2E3 | Q9Y5X4 | 1/20 | 0.36 |
| ▸ | NCOR2 | Q9Y618 | 1/20 | 0.36 |
| ▸ | CHRNB2 | P17787 | 1/20 | 0.36 |
| ▸ | CHRNA4 | P43681 | 1/20 | 0.36 |
| ▸ | HRH3 | Q9Y5N1 | 2/20 | 0.35 |
| ▸ | MEN1 | O00255 | 1/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL30811846 | 0.98 | MAPT (0.37) | MAPK1ALDH1A1HTTGAAMAPT | |
| SCHEMBL31728274 | 0.95 | CHRNB2 (0.37) | MAPK1ALDH1A1HTTGAAMAPT | |
| SCHEMBL31728438 | 0.84 | ALDH1A1 (0.40) | MAPK1ALDH1A1MAPTTSHRNPC1 | |
| SCHEMBL29360875 | 0.83 | CCR5 (0.43) | MAPK1ALDH1A1GAAMAPTLMNA | |
| SCHEMBL16121167 | 0.83 | CCR5 (0.43) | MAPK1ALDH1A1GAAMAPTLMNA | |
| SCHEMBL31128265 | 0.79 | L3MBTL1 (0.39) | ALDH1A1HTTGAAMAPTLMNA | |
| SCHEMBL26917123 | 0.79 | HTT (0.47) | MAPK1ALDH1A1HTTGAAMAPT | |
| SCHEMBL29858551 | 0.79 | HTT (0.47) | MAPK1ALDH1A1HTTGAAMAPT | |
| SCHEMBL31728501 | 0.78 | PDE10A (0.34) | OPRK1 | |
| SCHEMBL31727997 | 0.77 | CNR2 (0.31) | — |
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-3299367-A1 | BIARYL AMIDE COMPOUNDS AS KINASE INHIBITORS | Novartis AG (CH) | 2018-03-28 | — | — | EP | disclosed |