Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HDAC1 | Q13547 | 5/20 | 0.40 |
| ▸ | HDAC2 | Q92769 | 5/20 | 0.40 |
| ▸ | HDAC3 | O15379 | 4/20 | 0.40 |
| ▸ | HDAC8 | Q9BY41 | 4/20 | 0.40 |
| ▸ | FFAR3 | O14843 | 3/20 | 0.40 |
| ▸ | CES2 | O00748 | 2/20 | 0.39 |
| ▸ | CES1 | P23141 | 1/20 | 0.36 |
| ▸ | TSHR | P16473 | 4/20 | 0.33 |
| ▸ | MAPT | P10636 | 1/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.32 |
| ▸ | TDP1 | Q9NUW8 | 3/20 | 0.31 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.31 |
| ▸ | AKR1A1 | P14550 | 1/20 | 0.31 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.31 |
| ▸ | HTR2A | P28223 | 1/20 | 0.31 |
| ▸ | HTR2C | P28335 | 1/20 | 0.31 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.31 |
| ▸ | HRH1 | P35367 | 1/20 | 0.31 |
| ▸ | DRD3 | P35462 | 1/20 | 0.31 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL2414701 | 0.81 | HDAC1 (0.43) | HDAC1HDAC2HDAC3HDAC8FFAR3 | |
| SCHEMBL10969529 | 0.75 | EGLN1 (0.36) | CES2CES1TSHRMAPTALDH1A1 | |
| SCHEMBL810202 | 0.72 | — | — | |
| SCHEMBL28138809 | 0.71 | CES2 (0.40) | HDAC1HDAC2HDAC3HDAC8FFAR3 | |
| SCHEMBL3778175 | 0.71 | CES2 (0.40) | HDAC1HDAC2HDAC3HDAC8FFAR3 | |
| Methyl Alcohol SCHEMBL28109404 | 0.70 | CES2 (0.39) | HDAC1HDAC2HDAC3HDAC8FFAR3 | |
| SCHEMBL16925553 | 0.69 | — | — | |
| Butyric Acid SCHEMBL28150748 | 0.67 | FFAR3 (0.77) | HDAC1HDAC2HDAC3HDAC8FFAR3 | |
| SCHEMBL982455 | 0.66 | CES2 (0.50) | HDAC1HDAC2HDAC3HDAC8FFAR3 | |
| SCHEMBL21598896 | 0.66 | LMNA (0.32) | TSHRMAPTALDH1A1TDP1MEN1 |
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 |
|---|---|---|---|---|---|---|---|
| EP-0031982-B1 | 3-SUBSTITUTED-3-FLUOROPYRUVIC ACIDS AND THEIR ESTERS AND SALTS, AND PRODUCTION THEREOF | Daikin Kogyo Co., Ltd. (JP) | 1985-06-05 | — | — | EP | disclosed |
| US-4390702-A | 3-Substituted-3-fluoropyruvic acids and their esters and salts, and production thereof | DAIKAN KOGYO CO., LTD. (JP) | 1983-06-28 | — | — | US | disclosed |
| EP-0031982-A2 | 3-Substituted-3-fluoropyruvic acids and their esters and salts, and production thereof | Daikin Kogyo Co., Ltd. (JP) | 1981-07-15 | — | — | EP | disclosed |