Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR1 | P03372 | 3/20 | 0.41 |
| ▸ | HRH4 | Q9H3N8 | 1/20 | 0.35 |
| ▸ | PGK1 | P00558 | 9/20 | 0.35 |
| ▸ | GSK3B | P49841 | 1/20 | 0.35 |
| ▸ | MAP4K2 | Q12851 | 1/20 | 0.35 |
| ▸ | LMNA | P02545 | 1/20 | 0.34 |
| ▸ | S1PR2 | O95136 | 1/20 | 0.33 |
| ▸ | S1PR5 | Q9H228 | 1/20 | 0.33 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.33 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.33 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.33 |
| ▸ | CACNA1C | Q13936 | 1/20 | 0.33 |
| ▸ | SCN5A | Q14524 | 1/20 | 0.33 |
| ▸ | CASR | P41180 | 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 | |
|---|---|---|---|---|
| SCHEMBL24818431 | 0.80 | ESR1 (0.35) | ESR1PGK1CYP2D6CYP2C19KCNH2 | |
| SCHEMBL26894175 | 0.77 | LMNA (0.39) | ESR1PGK1GSK3BMAP4K2LMNA | |
| SCHEMBL5018836 | 0.76 | NFKB1 (0.38) | ESR1LMNAS1PR2 | |
| SCHEMBL16454931 | 0.76 | PGK1 (0.38) | ESR1PGK1GSK3BMAP4K2LMNA | |
| SCHEMBL18749925 | 0.74 | PGK1 (0.37) | ESR1PGK1GSK3BMAP4K2LMNA | |
| SCHEMBL10093922 | 0.73 | ESR1 (0.50) | ESR1HRH4PGK1GSK3BMAP4K2 | |
| SCHEMBL20642343 | 0.72 | ESR1 (0.35) | ESR1LMNA | |
| SCHEMBL9592998 | 0.72 | GAA (0.46) | ESR1HRH4PGK1GSK3BLMNA | |
| SCHEMBL2772290 | 0.72 | LMNA (0.52) | ESR1GSK3BLMNACYP2D6CYP2C19 | |
| SCHEMBL25083691 | 0.71 | CYP2C19 (0.42) | HRH4PGK1GSK3BMAP4K2LMNA |
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-9663511-B2 | Sphingosine 1-phosphate receptor antagonists | Arroyo BioSciences, LLC (US) | 2017-05-30 | — | — | US | disclosed |