Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PGK1 | P00558 | 8/20 | 0.37 |
| ▸ | GSK3B | P49841 | 1/20 | 0.37 |
| ▸ | MAP4K2 | Q12851 | 1/20 | 0.37 |
| ▸ | LMNA | P02545 | 1/20 | 0.36 |
| ▸ | ESR1 | P03372 | 1/20 | 0.35 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.35 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.35 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.35 |
| ▸ | CACNA1C | Q13936 | 1/20 | 0.35 |
| ▸ | SCN5A | Q14524 | 1/20 | 0.35 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.35 |
| ▸ | EGFR | P00533 | 1/20 | 0.33 |
| ▸ | FFAR1 | O14842 | 1/20 | 0.33 |
| ▸ | MEN1 | O00255 | 1/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.33 |
| ▸ | BCL6 | P41182 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL26894175 | 0.80 | LMNA (0.39) | PGK1GSK3BMAP4K2LMNAESR1 | |
| SCHEMBL16454931 | 0.78 | PGK1 (0.38) | PGK1GSK3BMAP4K2LMNAESR1 | |
| SCHEMBL10093922 | 0.76 | ESR1 (0.50) | PGK1GSK3BMAP4K2LMNAESR1 | |
| SCHEMBL9592998 | 0.74 | GAA (0.46) | PGK1GSK3BLMNAESR1CYP2D6 | |
| SCHEMBL2772290 | 0.74 | LMNA (0.52) | GSK3BLMNAESR1CYP2D6CYP2C19 | |
| SCHEMBL25083691 | 0.74 | CYP2C19 (0.42) | PGK1GSK3BMAP4K2LMNACYP2D6 | |
| SCHEMBL18896579 | 0.74 | ESR1 (0.41) | PGK1GSK3BMAP4K2LMNAESR1 | |
| SCHEMBL16039107 | 0.74 | LMNA (0.62) | GSK3BLMNAESR1PTGS2EGFR | |
| SCHEMBL1318375 | 0.73 | CYP2D6 (0.64) | LMNACYP2D6CYP2C19KMT2A | |
| SCHEMBL11689561 | 0.73 | ESR1 (0.61) | PGK1GSK3BMAP4K2LMNAESR1 |
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-2831072-B1 | NOVEL SPHINGOSINE 1-PHOSPHATE RECEPTOR ANTAGONISTS | ARROYO BIOSCIENCES L L C (US) | 2017-04-19 | — | — | EP | disclosed |