Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CES2 | O00748 | 1/20 | 0.41 |
| ▸ | CES1 | P23141 | 1/20 | 0.41 |
| ▸ | MAPT | P10636 | 11/20 | 0.40 |
| ▸ | NPC1 | O15118 | 4/20 | 0.40 |
| ▸ | RAB9A | P51151 | 3/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.40 |
| ▸ | HTT | P42858 | 1/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 7/20 | 0.38 |
| ▸ | MEN1 | O00255 | 6/20 | 0.38 |
| ▸ | POLB | P06746 | 3/20 | 0.38 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.38 |
| ▸ | CTDSP1 | Q9GZU7 | 1/20 | 0.37 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.37 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.37 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.37 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.37 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.37 |
| ▸ | AHR | P35869 | 1/20 | 0.37 |
| ▸ | GAA | P10253 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL18012786 | 0.89 | CES2 (0.35) | CES2CES1MAPTALDH1A1SMN1; SMN2 | |
| SCHEMBL18012645 | 0.88 | CES2 (0.39) | CES2CES1MAPTNPC1RAB9A | |
| SCHEMBL18012798 | 0.85 | KMT2A (0.47) | MAPTNPC1RAB9AALDH1A1SMN1; SMN2 | |
| SCHEMBL18012631 | 0.85 | CES2 (0.37) | CES2CES1MAPTNPC1RAB9A | |
| SCHEMBL18012778 | 0.81 | ALDH1A1 (0.45) | MAPTNPC1RAB9AALDH1A1HTT | |
| SCHEMBL18012822 | 0.80 | ALDH1A1 (0.41) | CES2CES1MAPTNPC1RAB9A | |
| SCHEMBL16690265 | 0.78 | CES2 (0.49) | CES2CES1MAPTNPC1RAB9A | |
| SCHEMBL18012764 | 0.77 | CYP1A2 (0.37) | CES2CES1MAPTNPC1RAB9A | |
| SCHEMBL18012638 | 0.76 | SMN1; SMN2 (0.34) | CES2CES1MAPTNPC1RAB9A | |
| SCHEMBL18012823 | 0.76 | SMN1; SMN2 (0.39) | MAPTNPC1RAB9AALDH1A1SMN1; 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 |
|---|---|---|---|---|---|---|---|
| WO-2016126070-A1 | NOVEL OXIMESTER DERIVATIVE COMPOUND, AND PHOTOPOLYMERIZATION INITIATOR AND PHOTORESIST COMPOSITION CONTAINING SAME | 한국화학연구원 | 2016-08-11 | — | — | WO | disclosed |