Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MLYCD | O95822 | 1/20 | 0.38 |
| ▸ | HCAR2 | Q8TDS4 | 3/20 | 0.35 |
| ▸ | GAA | P10253 | 2/20 | 0.34 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.34 |
| ▸ | HTT | P42858 | 1/20 | 0.34 |
| ▸ | HPGD | P15428 | 1/20 | 0.34 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.33 |
| ▸ | TACR1 | P25103 | 1/20 | 0.33 |
| ▸ | MEN1 | O00255 | 1/20 | 0.33 |
| ▸ | LMNA | P02545 | 1/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.33 |
| ▸ | PTPN1 | P18031 | 2/20 | 0.32 |
| ▸ | APP | P05067 | 1/20 | 0.32 |
| ▸ | NPC1 | O15118 | 1/20 | 0.32 |
| ▸ | RAB9A | P51151 | 1/20 | 0.32 |
| ▸ | NPY5R | Q15761 | 1/20 | 0.32 |
| ▸ | FFAR4 | Q5NUL3 | 1/20 | 0.32 |
| ▸ | AKR1C3 | P42330 | 1/20 | 0.32 |
| ▸ | AKR1C2 | P52895 | 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 | |
|---|---|---|---|---|
| SCHEMBL99712 | 0.85 | HDAC1 (0.40) | HCAR2KDM4EALDH1A1HTTHPGD | |
| SCHEMBL175689 | 0.85 | CHRM3 (0.49) | — | |
| SCHEMBL99813 | 0.84 | HCAR2 (0.44) | HCAR2HTTRAB9A | |
| SCHEMBL99967 | 0.84 | MLYCD (0.43) | MLYCDHCAR2GAAKDM4EALDH1A1 | |
| SCHEMBL101458 | 0.81 | HCAR2 (0.45) | HCAR2GAAALDH1A1HTTL3MBTL1 | |
| SCHEMBL100167 | 0.81 | SMN1; SMN2 (0.43) | HCAR2ALDH1A1MEN1KMT2ANPC1 | |
| SCHEMBL98766 | 0.80 | LTB4R (0.52) | HCAR2KDM4EALDH1A1HPGDMEN1 | |
| SCHEMBL102082 | 0.80 | RAB9A (0.44) | HCAR2NPC1RAB9AAKR1C3AKR1C2 | |
| SCHEMBL101243 | 0.80 | LMNA (0.41) | HCAR2GAAKDM4EALDH1A1HTT | |
| SCHEMBL100652 | 0.80 | HCAR2 (0.44) | HCAR2HPGDMEN1KMT2ANPC1 |
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 |