Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.47 |
| ▸ | MAPT | P10636 | 1/20 | 0.47 |
| ▸ | RECQL | P46063 | 1/20 | 0.45 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.43 |
| ▸ | GRK6 | P43250 | 1/20 | 0.43 |
| ▸ | MEN1 | O00255 | 1/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.42 |
| ▸ | CES2 | O00748 | 1/20 | 0.42 |
| ▸ | CES1 | P23141 | 1/20 | 0.42 |
| ▸ | GRM2 | Q14416 | 1/20 | 0.41 |
| ▸ | PDK2 | Q15119 | 1/20 | 0.41 |
| ▸ | RAB9A | P51151 | 1/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.40 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.40 |
| ▸ | PBRM1 | Q86U86 | 1/20 | 0.40 |
| ▸ | KCNMA1 | Q12791 | 1/20 | 0.40 |
| ▸ | MAPK14 | Q16539 | 1/20 | 0.39 |
| ▸ | FADS1 | O60427 | 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 | |
|---|---|---|---|---|
| SCHEMBL32673266 | 0.88 | ALDH1A1 (0.49) | ALDH1A1MAPTRECQLALOX15CES2 | |
| SCHEMBL333224 | 0.80 | RECQL (0.71) | ALDH1A1MAPTRECQLALOX15KMT2A | |
| SCHEMBL29515875 | 0.80 | RECQL (0.71) | ALDH1A1MAPTRECQLALOX15KMT2A | |
| SCHEMBL29858361 | 0.80 | RECQL (0.71) | ALDH1A1MAPTRECQLALOX15KMT2A | |
| SCHEMBL23293839 | 0.77 | IKBKB (0.42) | ALDH1A1GRK6MEN1KMT2AGRM2 | |
| Water SCHEMBL27623262 | 0.76 | CES2 (0.62) | ALDH1A1MAPTALOX15MEN1KMT2A | |
| SCHEMBL17979466 | 0.76 | CES2 (0.47) | ALDH1A1MAPTRECQLALOX15CES2 | |
| SCHEMBL1342161 | 0.75 | ALDH1A1 (0.56) | ALDH1A1MAPTRECQLALOX15CES2 | |
| SCHEMBL29963527 | 0.75 | ALDH1A1 (0.56) | ALDH1A1MAPTRECQLALOX15CES2 | |
| SCHEMBL611188 | 0.74 | RECQL (0.58) | ALDH1A1MAPTRECQLALOX15MEN1 |
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-102971294-B | Related inhibitors of urethane, urea, amidines, and factor Xa | TOVBIN DMITRY GENNADIEVICH | 2015-03-25 | — | — | CN | disclosed |