Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CACNA1B | Q00975 | 6/20 | 0.55 |
| ▸ | PKM | P14618 | 1/20 | 0.47 |
| ▸ | CACNA1H | O95180 | 4/20 | 0.45 |
| ▸ | HRH3 | Q9Y5N1 | 4/20 | 0.43 |
| ▸ | DRD2 | P14416 | 2/20 | 0.43 |
| ▸ | DRD3 | P35462 | 2/20 | 0.43 |
| ▸ | LMNA | P02545 | 1/20 | 0.43 |
| ▸ | ACHE | P22303 | 1/20 | 0.43 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.43 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.43 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.43 |
| ▸ | MMP2 | P08253 | 2/20 | 0.43 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.42 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.41 |
| ▸ | SLC1A3 | P43003 | 1/20 | 0.40 |
| ▸ | SLC1A2 | P43004 | 1/20 | 0.40 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.40 |
| ▸ | SCN9A | Q15858 | 1/20 | 0.40 |
| ▸ | MMP3 | P08254 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL5041341 | 1.00 | CACNA1B (0.55) | CACNA1BPKMCACNA1HHRH3DRD2 | |
| SCHEMBL5038345 | 0.87 | PKM (0.51) | PKMLMNAMMP2ALDH1A1SLC1A3 | |
| SCHEMBL5038343 | 0.87 | PKM (0.51) | PKMLMNAMMP2ALDH1A1SLC1A3 | |
| SCHEMBL5038056 | 0.85 | PKM (0.53) | PKMSMN1; SMN2ALDH1A1SLC1A3SLC1A2 | |
| SCHEMBL5038062 | 0.85 | PKM (0.53) | PKMSMN1; SMN2ALDH1A1SLC1A3SLC1A2 | |
| Hydrochloric Acid SCHEMBL5041684 | 0.83 | DRD2 (0.48) | PKMHRH3DRD2DRD3LMNA | |
| Hydrochloric Acid SCHEMBL5041688 | 0.83 | DRD2 (0.48) | PKMHRH3DRD2DRD3LMNA | |
| SCHEMBL5040915 | 0.83 | PKM (0.53) | PKMCACNA1HLMNAALDH1A1SLC1A3 | |
| SCHEMBL5040908 | 0.83 | PKM (0.53) | PKMCACNA1HLMNAALDH1A1SLC1A3 | |
| SCHEMBL5041978 | 0.82 | PKM (0.52) | PKMLMNASMN1; SMN2ALDH1A1SLC1A3 |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1567498-B1 | MANDELIC ACID DERIVATIVES | HOFFMANN LA ROCHE (CH) | 2008-01-23 | — | — | EP | disclosed |
| US-7129238-B2 | Mandelic acid derivatives | HOFFMANN-LA ROCHE INC. (US) | 2006-10-31 | — | — | US | disclosed |
| EP-1567498-A2 | MANDELIC ACID DERIVATIVES | F. HOFFMANN-LA ROCHE AG (CH) | 2005-08-31 | — | — | EP | disclosed |
| US-20040122057-A1 | Novel mandelic acid derivatives | HOFFMANN-LA ROCHE INC. | 2004-06-24 | — | — | US | disclosed |
| WO-2004048335-A2 | MANDELIC ACID DERIVATIVES | F. HOFFMANN-LA ROCHE AG (CH) | 2004-06-10 | — | — | 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-20040122057-A1 | Novel mandelic acid derivatives | F7, F11, F9 | CACNA1B 3904/4885PKM 4225/4885CACNA1H 2755/4885 |
“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.