Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MLYCD | O95822 | 1/20 | 0.43 |
| ▸ | AKR1C3 | P42330 | 1/20 | 0.41 |
| ▸ | AKR1C2 | P52895 | 1/20 | 0.41 |
| ▸ | GAA | P10253 | 3/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.39 |
| ▸ | MEN1 | O00255 | 1/20 | 0.39 |
| ▸ | LMNA | P02545 | 1/20 | 0.39 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.39 |
| ▸ | HCAR2 | Q8TDS4 | 3/20 | 0.39 |
| ▸ | LTB4R | Q15722 | 1/20 | 0.37 |
| ▸ | LTB4R2 | Q9NPC1 | 1/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.36 |
| ▸ | HTT | P42858 | 1/20 | 0.36 |
| ▸ | HPGD | P15428 | 1/20 | 0.36 |
| ▸ | PTPN1 | P18031 | 2/20 | 0.36 |
| ▸ | FFAR1 | O14842 | 1/20 | 0.36 |
| ▸ | NPY5R | Q15761 | 1/20 | 0.35 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.35 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL15823604 | 0.94 | ALDH1A1 (0.39) | MLYCDAKR1C3AKR1C2GAAKMT2A | |
| SCHEMBL99713 | 0.84 | MLYCD (0.38) | MLYCDAKR1C3AKR1C2GAAKMT2A | |
| SCHEMBL15822928 | 0.83 | ALDH1A1 (0.39) | MLYCDAKR1C3AKR1C2GAAKMT2A | |
| SCHEMBL663062 | 0.81 | CHRM3 (0.57) | — | |
| Iodide SCHEMBL101550 | 0.80 | CHRM3 (0.42) | — | |
| SCHEMBL98704 | 0.79 | AKR1C3 (0.51) | AKR1C3AKR1C2GAAKMT2AMEN1 | |
| SCHEMBL101142 | 0.76 | AKR1C3 (0.53) | AKR1C3AKR1C2GAAKMT2AMEN1 | |
| SCHEMBL101223 | 0.75 | HDAC1 (0.51) | AKR1C3AKR1C2KMT2AMEN1ALDH1A1 | |
| SCHEMBL15824156 | 0.74 | LMNA (0.46) | GAAKMT2AMEN1LMNAL3MBTL1 | |
| SCHEMBL15823927 | 0.74 | ALDH1A1 (0.45) | KMT2AMEN1ALDH1A1ALOX15SMN1; SMN2 |
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-2426121-A1 | QUATERNARY AMMONIUM SALT COMPOUND | Teijin Pharma Limited (JP) | 2012-03-07 | — | — | EP | claimed |