Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.46 |
| ▸ | POLB | P06746 | 1/20 | 0.46 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.43 |
| ▸ | MAPT | P10636 | 5/20 | 0.42 |
| ▸ | BCL9 | O00512 | 1/20 | 0.39 |
| ▸ | CTNNB1 | P35222 | 1/20 | 0.39 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.38 |
| ▸ | MMP14 | P50281 | 1/20 | 0.38 |
| ▸ | NPC1 | O15118 | 2/20 | 0.37 |
| ▸ | RAB9A | P51151 | 1/20 | 0.37 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.37 |
| ▸ | HSD11B1 | P28845 | 1/20 | 0.36 |
| ▸ | ESR1 | P03372 | 1/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.36 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.36 |
| ▸ | MEN1 | O00255 | 1/20 | 0.36 |
| ▸ | LMNA | P02545 | 1/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.36 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL8666047 | 1.00 | ALDH1A1 (0.46) | ALDH1A1POLBMAPK1MAPTBCL9 | |
| SCHEMBL8749734 | 0.86 | ALDH1A1 (0.52) | ALDH1A1POLBMAPK1MAPTBCL9 | |
| SCHEMBL8844983 | 0.86 | ALDH1A1 (0.52) | ALDH1A1POLBMAPK1MAPTBCL9 | |
| SCHEMBL8604771 | 0.85 | ALDH1A1 (0.45) | ALDH1A1POLBMAPK1MAPTBCL9 | |
| SCHEMBL2817150 | 0.84 | ALDH1A1 (0.49) | ALDH1A1POLBMAPK1MAPTBCL9 | |
| SCHEMBL8749755 | 0.81 | CHEK1 (0.40) | ALDH1A1MAPTNPC1RAB9AESR1 | |
| SCHEMBL9118558 | 0.80 | ALDH1A1 (0.44) | ALDH1A1POLBMAPK1MAPTNPC1 | |
| SCHEMBL2873973 | 0.79 | MAPT (0.51) | ALDH1A1POLBMAPK1MAPTBCL9 | |
| SCHEMBL14880725 | 0.76 | ALDH1A1 (0.63) | ALDH1A1POLBMAPK1MAPTBCL9 | |
| SCHEMBL10691685 | 0.75 | TSHR (0.44) | ALDH1A1POLBMAPK1MAPTMMP14 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5661014-A | Chiral compounds and their resolution synthesis using enantioselective esterases | CHIROSCIENCE LIMITED (GB) | 1997-08-26 | — | — | US | disclosed |
| EP-0763023-A1 | CHIRAL COMPOUNDS AND THEIR RESOLUTION | Chiroscience Limited (GB) | 1997-03-19 | — | — | EP | disclosed |
| WO-1995032947-A1 | CHIRAL COMPOUNDS AND THEIR RESOLUTION | CHIROSCIENCE LIMITED (GB) | 1995-12-07 | — | — | WO | disclosed |