Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PCSK9 | Q8NBP7 | 4/20 | 0.51 |
| ▸ | MAP1LC3B | Q9GZQ8 | 4/20 | 0.51 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.44 |
| ▸ | LMNA | P02545 | 3/20 | 0.44 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.42 |
| ▸ | RAB9A | P51151 | 6/20 | 0.40 |
| ▸ | NPC1 | O15118 | 3/20 | 0.40 |
| ▸ | PKM | P14618 | 1/20 | 0.40 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.38 |
| ▸ | TP53 | P04637 | 1/20 | 0.38 |
| ▸ | HPGD | P15428 | 1/20 | 0.38 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.38 |
| ▸ | SCN9A | Q15858 | 1/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.38 |
| ▸ | MEN1 | O00255 | 1/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.38 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL20001122 | 1.00 | PCSK9 (0.51) | PCSK9MAP1LC3BSMN1; SMN2LMNAMAPK1 | |
| SCHEMBL22687381 | 1.00 | PCSK9 (0.51) | PCSK9MAP1LC3BSMN1; SMN2LMNAMAPK1 | |
| SCHEMBL30228844 | 0.93 | PCSK9 (0.50) | PCSK9MAP1LC3BSMN1; SMN2LMNAMAPK1 | |
| SCHEMBL19995737 | 0.93 | PCSK9 (0.50) | PCSK9MAP1LC3BSMN1; SMN2LMNAMAPK1 | |
| SCHEMBL19995738 | 0.93 | PCSK9 (0.50) | PCSK9MAP1LC3BSMN1; SMN2LMNAMAPK1 | |
| SCHEMBL20001126 | 0.93 | PCSK9 (0.50) | PCSK9MAP1LC3BSMN1; SMN2LMNAMAPK1 | |
| SCHEMBL30228572 | 0.93 | PCSK9 (0.50) | PCSK9MAP1LC3BSMN1; SMN2LMNAMAPK1 | |
| SCHEMBL20000918 | 0.91 | PCSK9 (0.51) | PCSK9MAP1LC3BSMN1; SMN2LMNAMAPK1 | |
| SCHEMBL22687430 | 0.91 | PCSK9 (0.51) | PCSK9MAP1LC3BSMN1; SMN2LMNAMAPK1 | |
| SCHEMBL22687435 | 0.90 | PCSK9 (0.50) | PCSK9MAP1LC3BSMN1; SMN2LMNAMAPK1 |
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-3515891-B1 | SUBSTITUTED 1-METHYL-1,2,3,4-TETRAHYDROISOQUINOLINE MOLECULES AS PCSK9 ALLOSTERIC BINDERS | MERCK SHARP & DOHME LLC (US) | 2023-03-08 | — | — | EP | disclosed |