Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KCNH2 | Q12809 | 3/20 | 0.34 |
| ▸ | PCSK9 | Q8NBP7 | 1/20 | 0.33 |
| ▸ | LTA4H | P09960 | 1/20 | 0.33 |
| ▸ | SLC9A1 | P19634 | 2/20 | 0.32 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.32 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.32 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.32 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.32 |
| ▸ | MEN1 | O00255 | 1/20 | 0.32 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.32 |
| ▸ | PGR | P06401 | 1/20 | 0.32 |
| ▸ | RORA | P35398 | 1/20 | 0.32 |
| ▸ | RORC | P51449 | 1/20 | 0.32 |
| ▸ | RORB | Q92753 | 1/20 | 0.32 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.31 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.31 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.31 |
| ▸ | LIPG | Q9Y5X9 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL7902229 | 1.00 | KCNH2 (0.34) | KCNH2PCSK9LTA4HSLC9A1PTGS2 | |
| SCHEMBL7902228 | 1.00 | KCNH2 (0.34) | KCNH2PCSK9LTA4HSLC9A1PTGS2 | |
| SCHEMBL7900732 | 0.91 | KCNH2 (0.41) | KCNH2SLC9A1CYP1A2CYP2C19MEN1 | |
| SCHEMBL7894780 | 0.91 | KCNH2 (0.41) | KCNH2SLC9A1CYP1A2CYP2C19MEN1 | |
| SCHEMBL7904030 | 0.91 | KCNH2 (0.41) | KCNH2SLC9A1CYP1A2CYP2C19MEN1 | |
| SCHEMBL7894775 | 0.91 | KCNH2 (0.41) | KCNH2SLC9A1CYP1A2CYP2C19MEN1 | |
| SCHEMBL7900733 | 0.91 | KCNH2 (0.41) | KCNH2SLC9A1CYP1A2CYP2C19MEN1 | |
| SCHEMBL7900730 | 0.91 | KCNH2 (0.41) | KCNH2SLC9A1CYP1A2CYP2C19MEN1 | |
| SCHEMBL23423904 | 0.86 | GRM2 (0.35) | MEN1KMT2A | |
| SCHEMBL7902244 | 0.85 | TP53 (0.32) | — |
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 |
|---|---|---|---|---|---|---|---|
| US-6194593-B1 | USEFUL AS LIGAND FOR AN ASYMMETRIC CATALYST FOR USE IN ASYMMETRICAL HYDROGENATION | NIPPON CHEMICAL INDUSTRIAL CO., LTD. (JP) | 2001-02-27 | — | — | US | disclosed |