Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PCSK9 | Q8NBP7 | 4/20 | 0.42 |
| ▸ | MAP1LC3B | Q9GZQ8 | 4/20 | 0.42 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.37 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.36 |
| ▸ | LMNA | P02545 | 2/20 | 0.36 |
| ▸ | TSHR | P16473 | 1/20 | 0.35 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.35 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.35 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.35 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.35 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.35 |
| ▸ | MEN1 | O00255 | 1/20 | 0.35 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.34 |
| ▸ | GCK | P35557 | 1/20 | 0.34 |
| ▸ | HCRTR1 | O43613 | 1/20 | 0.33 |
| ▸ | GRM5 | P41594 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL19995720 | 1.00 | PCSK9 (0.42) | PCSK9MAP1LC3BTDP1NPSR1KMT2A | |
| SCHEMBL20001155 | 0.98 | PCSK9 (0.41) | PCSK9MAP1LC3BTDP1NPSR1KMT2A | |
| SCHEMBL19995766 | 0.90 | PCSK9 (0.42) | PCSK9MAP1LC3BNPSR1KMT2ALMNA | |
| SCHEMBL30228456 | 0.90 | PCSK9 (0.42) | PCSK9MAP1LC3BNPSR1KMT2ALMNA | |
| SCHEMBL22697366 | 0.89 | PCSK9 (0.41) | PCSK9MAP1LC3BNPSR1KMT2ALMNA | |
| SCHEMBL19995708 | 0.89 | PCSK9 (0.43) | PCSK9MAP1LC3BNPSR1KMT2ALMNA | |
| SCHEMBL20001034 | 0.86 | PCSK9 (0.42) | PCSK9MAP1LC3BTDP1NPSR1KMT2A | |
| SCHEMBL20000922 | 0.86 | PCSK9 (0.40) | PCSK9MAP1LC3BTDP1NPSR1KMT2A | |
| SCHEMBL20000915 | 0.86 | PCSK9 (0.50) | PCSK9MAP1LC3BLMNACYP1A2CYP3A4 | |
| SCHEMBL22687435 | 0.86 | PCSK9 (0.50) | PCSK9MAP1LC3BLMNACYP1A2CYP3A4 |
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 |