Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CES2 | O00748 | 1/20 | 0.41 |
| ▸ | CES1 | P23141 | 1/20 | 0.41 |
| ▸ | KCNN4 | O15554 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.40 |
| ▸ | PDK1 | Q15118 | 3/20 | 0.39 |
| ▸ | PDK2 | Q15119 | 3/20 | 0.39 |
| ▸ | PDK3 | Q15120 | 3/20 | 0.39 |
| ▸ | PDK4 | Q16654 | 3/20 | 0.39 |
| ▸ | NPC1 | O15118 | 1/20 | 0.39 |
| ▸ | GLA | P06280 | 1/20 | 0.39 |
| ▸ | RAB9A | P51151 | 1/20 | 0.39 |
| ▸ | ATM | Q13315 | 1/20 | 0.39 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.39 |
| ▸ | TSHR | P16473 | 2/20 | 0.38 |
| ▸ | POLB | P06746 | 1/20 | 0.38 |
| ▸ | LMNA | P02545 | 1/20 | 0.38 |
| ▸ | HTR2A | P28223 | 1/20 | 0.38 |
| ▸ | HTR2C | P28335 | 1/20 | 0.38 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.38 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL30501925 | 0.85 | KCNN4 (0.44) | CES2CES1KCNN4ALDH1A1PDK1 | |
| SCHEMBL785777 | 0.85 | KCNN4 (0.44) | CES2CES1KCNN4ALDH1A1PDK1 | |
| SCHEMBL19815146 | 0.83 | MAPT (0.53) | CES2CES1KCNN4ALDH1A1PDK1 | |
| SCHEMBL9577269 | 0.82 | KCNN4 (0.41) | CES2CES1KCNN4ALDH1A1PDK1 | |
| SCHEMBL3822998 | 0.80 | PLCG1 (0.49) | KCNN4ALDH1A1PDK1PDK2PDK3 | |
| SCHEMBL30966610 | 0.80 | PLCG1 (0.49) | KCNN4ALDH1A1PDK1PDK2PDK3 | |
| SCHEMBL11002915 | 0.79 | HTR2A (0.36) | CES2CES1KCNN4ALDH1A1PDK1 | |
| SCHEMBL23032496 | 0.78 | MEN1 (0.40) | CES2CES1KCNN4ALDH1A1PDK1 | |
| SCHEMBL1627032 | 0.76 | TSHR (0.46) | ALDH1A1L3MBTL1TSHRPOLBHTR2A | |
| SCHEMBL8168083 | 0.75 | ALDH1A1 (0.44) | ALDH1A1PDK1PDK2PDK3PDK4 |
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-2000075094-A2 | METHOD FOR PRODUCING A HALOGENATED ACETOPHENONE | ISHIHARA SANGYO KAISHA, LTD. (JP) | 2000-12-14 | — | — | WO | disclosed |