Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KMT2A | Q03164 | 3/20 | 0.47 |
| ▸ | SLC1A3 | P43003 | 2/20 | 0.47 |
| ▸ | SLC1A2 | P43004 | 2/20 | 0.47 |
| ▸ | SLC1A1 | P43005 | 2/20 | 0.47 |
| ▸ | MEN1 | O00255 | 1/20 | 0.47 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.47 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.47 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.47 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.47 |
| ▸ | CPA1 | P15085 | 2/20 | 0.41 |
| ▸ | CPB1 | P15086 | 1/20 | 0.41 |
| ▸ | CPA3 | P15088 | 1/20 | 0.41 |
| ▸ | CPB2 | Q96IY4 | 1/20 | 0.41 |
| ▸ | LTA4H | P09960 | 2/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.40 |
| ▸ | MMP12 | P39900 | 2/20 | 0.39 |
| ▸ | HCAR2 | Q8TDS4 | 1/20 | 0.39 |
| ▸ | FFAR1 | O14842 | 2/20 | 0.39 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL27965431 | 1.00 | KMT2A (0.47) | KMT2ASLC1A3SLC1A2SLC1A1MEN1 | |
| SCHEMBL22325317 | 0.86 | SLC1A3 (0.47) | KMT2ASLC1A3SLC1A2SLC1A1MEN1 | |
| SCHEMBL10382406 | 0.86 | KMT2A (0.51) | KMT2ASLC1A3SLC1A2SLC1A1MEN1 | |
| SCHEMBL28907045 | 0.86 | CPA1 (0.44) | KMT2ASLC1A3SLC1A2SLC1A1MEN1 | |
| SCHEMBL12136516 | 0.80 | SLC1A3 (0.46) | KMT2ASLC1A3SLC1A2SLC1A1MEN1 | |
| SCHEMBL22464650 | 0.80 | SLC1A3 (0.42) | KMT2ASLC1A3SLC1A2SLC1A1MEN1 | |
| SCHEMBL22464649 | 0.80 | SLC1A3 (0.42) | KMT2ASLC1A3SLC1A2SLC1A1MEN1 | |
| SCHEMBL28790050 | 0.80 | SLC1A3 (0.46) | KMT2ASLC1A3SLC1A2SLC1A1MEN1 | |
| SCHEMBL8855042 | 0.79 | MMP1 (0.42) | KMT2ASLC1A3SLC1A2SLC1A1MEN1 | |
| SCHEMBL27739219 | 0.78 | SLC1A1 (0.44) | KMT2ASLC1A3SLC1A2SLC1A1MEN1 |
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 |
|---|---|---|---|---|---|---|---|
| CN-102827030-B | Preparation method of (3R,5R)-3,5-dihydroxy-6-methyl cyan-caproate | UNIV FUDAN | 2014-05-07 | — | — | CN | disclosed |