Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.50 |
| ▸ | TSHR | P16473 | 3/20 | 0.50 |
| ▸ | ACLY | P53396 | 2/20 | 0.44 |
| ▸ | THRB | P10828 | 1/20 | 0.43 |
| ▸ | HMGCR | P04035 | 1/20 | 0.35 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.35 |
| ▸ | TBXA2R | P21731 | 1/20 | 0.35 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.35 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.33 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.33 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.33 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.33 |
| ▸ | TET2 | Q6N021 | 2/20 | 0.32 |
| ▸ | PDK1 | Q15118 | 2/20 | 0.30 |
| ▸ | PDK2 | Q15119 | 2/20 | 0.30 |
| ▸ | PDK3 | Q15120 | 2/20 | 0.30 |
| ▸ | PDK4 | Q16654 | 2/20 | 0.30 |
| ▸ | TP53 | P04637 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL5162053 | 1.00 | ALDH1A1 (0.50) | ALDH1A1TSHRACLYTHRBHMGCR | |
| SCHEMBL891464 | 0.81 | ALDH1A1 (0.50) | ALDH1A1TSHRACLYTHRBHMGCR | |
| SCHEMBL1907923 | 0.78 | THRB (0.46) | ALDH1A1TSHRACLYTHRBHMGCR | |
| SCHEMBL14365547 | 0.78 | THRB (0.46) | ALDH1A1TSHRACLYTHRBHMGCR | |
| SCHEMBL8395910 | 0.78 | THRB (0.46) | ALDH1A1TSHRACLYTHRBHMGCR | |
| SCHEMBL26348120 | 0.76 | — | — | |
| SCHEMBL508043 | 0.75 | THRB (0.56) | ALDH1A1TSHRACLYTHRBL3MBTL1 | |
| SCHEMBL10897817 | 0.75 | THRB (0.43) | ALDH1A1TSHRACLYTHRBCYP2D6 | |
| Trifluoroacetic Acid SCHEMBL2455122 | 0.73 | ALDH1A1 (0.56) | ALDH1A1TSHRACLYTHRBHMGCR | |
| SCHEMBL5963798 | 0.73 | THRB (0.42) | ALDH1A1TSHRACLYTHRBCYP2D6 |
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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1054974-B1 | METHOD FOR PRODUCING TRIFLUORO-3(R)-HYDROXYBUTYRIC ACID DERIVATIVES | LONZA AG (CH) | 2007-03-28 | — | — | EP | disclosed |
| US-6893861-B1 | Method for producing trifluoro-3(r)-hydroxybutyric acid derivatives | LONZA AG (CH) | 2005-05-17 | — | — | US | disclosed |
| US-6893861-B1 | Method for producing trifluoro-3(r)-hydroxybutyric acid derivatives | LONZA AG (CH) | 2005-05-17 | — | — | US | disclosed |
| US-6893861-B1 | Method for producing trifluoro-3(r)-hydroxybutyric acid derivatives | LONZA AG (CH) | 2005-05-17 | — | — | US | disclosed |
| US-20030088095-A1 | Reacting an optically active imine with a hemiacetal of a perfluoroalkylaldehyde or a hydrate; hydrolyzing the condensate under an acid condition. | CENTRAL GLASS COMPANY, LIMITED | 2003-05-08 | — | — | US | disclosed |
| EP-1054974-A1 | METHOD FOR PRODUCING TRIFLUORO-3(R)-HYDROXYBUTYRIC ACID DERIVATIVES | Lonza AG (CH) | 2000-11-29 | — | — | EP | disclosed |
| WO-1999042590-A1 | METHOD FOR PRODUCING TRIFLUORO-3(R)-HYDROXYBUTYRIC ACID DERIVATIVES | LONZA AG (CH) | 1999-08-26 | — | — | WO | disclosed |
Patent text — is the patent's own abstract consistent with the prediction?
For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.
| Patent | Title | Text reads most about | Predicted target · text-rank |
|---|---|---|---|
| US-20030088095-A1 | Reacting an optically active imine with a hemiacetal of a perfluoroalkylaldehyde or a hydrate; hydrolyzing the condensate under an acid condition. | ADH1C, ADH1A, HPD | ALDH1A1 25/4885TSHR 1989/4885ACLY 3299/4885 |
“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.