Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 4/20 | 0.50 |
| ▸ | RAB9A | P51151 | 3/20 | 0.50 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.50 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.50 |
| ▸ | MAPT | P10636 | 1/20 | 0.50 |
| ▸ | PKM | P14618 | 1/20 | 0.50 |
| ▸ | MET | P08581 | 2/20 | 0.49 |
| ▸ | GPR55 | Q9Y2T6 | 1/20 | 0.49 |
| ▸ | GAA | P10253 | 1/20 | 0.48 |
| ▸ | SGMS2 | Q8NHU3 | 1/20 | 0.48 |
| ▸ | PDK1 | Q15118 | 3/20 | 0.48 |
| ▸ | MEN1 | O00255 | 5/20 | 0.46 |
| ▸ | KMT2A | Q03164 | 5/20 | 0.46 |
| ▸ | ROCK1 | Q13464 | 1/20 | 0.46 |
| ▸ | AKR1C3 | P42330 | 1/20 | 0.45 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.45 |
| ▸ | MAOA | P21397 | 1/20 | 0.45 |
| ▸ | MAOB | P27338 | 1/20 | 0.45 |
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 | |
|---|---|---|---|---|
| SCHEMBL4939255 | 0.81 | NPC1 (0.63) | NPC1RAB9ASMN1; SMN2ALDH1A1MAPT | |
| SCHEMBL16586096 | 0.79 | PDK1 (0.71) | PDK1 | |
| SCHEMBL4940840 | 0.78 | SGMS2 (0.61) | NPC1RAB9ASMN1; SMN2ALDH1A1MAPT | |
| SCHEMBL16585766 | 0.77 | PDK1 (0.62) | PDK1 | |
| SCHEMBL4940769 | 0.77 | SGMS2 (0.66) | NPC1RAB9ASMN1; SMN2ALDH1A1MAPT | |
| SCHEMBL4936884 | 0.75 | LRRK2 (0.69) | METSGMS2MEN1KMT2A | |
| SCHEMBL16586063 | 0.74 | PDK1 (0.72) | PDK1HSP90AA1 | |
| SCHEMBL4941693 | 0.73 | MEN1 (0.63) | SMN1; SMN2METSGMS2MEN1KMT2A | |
| SCHEMBL4943478 | 0.71 | MET (0.74) | METSGMS2MEN1KMT2A | |
| SCHEMBL4937063 | 0.71 | MET (0.74) | METSGMS2MEN1KMT2A |
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 |
|---|---|---|---|---|---|---|---|
| WO-2015040425-A1 | RESORCINOL N-ARYL AMIDE COMPOUNDS, FOR USE AS PYRUVATE DEHYDROGENASE KINASE INHIBITORS | VERNALIS (R&D) LIMITED (GB) | 2015-03-26 | — | — | WO | disclosed |