Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PCSK9 | Q8NBP7 | 4/20 | 0.48 |
| ▸ | MAP1LC3B | Q9GZQ8 | 4/20 | 0.48 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.39 |
| ▸ | MAPK1 | P28482 | 3/20 | 0.39 |
| ▸ | LMNA | P02545 | 3/20 | 0.39 |
| ▸ | RAB9A | P51151 | 5/20 | 0.39 |
| ▸ | NPC1 | O15118 | 3/20 | 0.37 |
| ▸ | PKM | P14618 | 2/20 | 0.37 |
| ▸ | CDK5 | Q00535 | 1/20 | 0.37 |
| ▸ | CDK5R1 | Q15078 | 1/20 | 0.37 |
| ▸ | MAPT | P10636 | 1/20 | 0.37 |
| ▸ | APEX1 | P27695 | 1/20 | 0.37 |
| ▸ | PPARG | P37231 | 1/20 | 0.37 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.37 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.37 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.37 |
| ▸ | NR2E3 | Q9Y5X4 | 1/20 | 0.37 |
| ▸ | NCOR2 | Q9Y618 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL22697379 | 0.94 | PCSK9 (0.49) | PCSK9MAP1LC3BKMT2AALDH1A1SMN1; SMN2 | |
| SCHEMBL20001121 | 0.91 | PCSK9 (0.49) | PCSK9MAP1LC3BKMT2AALDH1A1SMN1; SMN2 | |
| SCHEMBL22687410 | 0.91 | PCSK9 (0.49) | PCSK9MAP1LC3BKMT2AALDH1A1SMN1; SMN2 | |
| SCHEMBL22697380 | 0.88 | PCSK9 (0.47) | PCSK9MAP1LC3BKMT2AALDH1A1SMN1; SMN2 | |
| SCHEMBL22687402 | 0.87 | PCSK9 (0.49) | PCSK9MAP1LC3BKMT2AALDH1A1SMN1; SMN2 | |
| SCHEMBL20001065 | 0.87 | PCSK9 (0.49) | PCSK9MAP1LC3BKMT2AALDH1A1SMN1; SMN2 | |
| SCHEMBL23240040 | 0.87 | PCSK9 (0.53) | PCSK9MAP1LC3BKMT2AALDH1A1SMN1; SMN2 | |
| SCHEMBL22697398 | 0.86 | PCSK9 (0.48) | PCSK9MAP1LC3BALDH1A1SMN1; SMN2MAPK1 | |
| SCHEMBL22697392 | 0.86 | PCSK9 (0.47) | PCSK9MAP1LC3BALDH1A1SMN1; SMN2MAPK1 | |
| SCHEMBL22687383 | 0.86 | PCSK9 (0.48) | PCSK9MAP1LC3BALDH1A1SMN1; SMN2MAPK1 |
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-2018057409-A1 | SUBSTITUTED 1-METHYL-1,2,3,4-TETRAHYDROISOQUINOLINE MOLECULES AS PCSK9 ALLOSTERIC BINDERS | MERCK SHARP & DOHME CORP. (US) | 2018-03-29 | — | — | WO | disclosed |