Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.49 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.41 |
| ▸ | TRPV1 | Q8NER1 | 1/20 | 0.40 |
| ▸ | MAPT | P10636 | 1/20 | 0.40 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.40 |
| ▸ | CES1 | P23141 | 1/20 | 0.38 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.38 |
| ▸ | MMP12 | P39900 | 1/20 | 0.38 |
| ▸ | MMP13 | P45452 | 1/20 | 0.38 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.38 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.38 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.38 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.38 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.38 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.38 |
| ▸ | HDAC7 | Q8WUI4 | 1/20 | 0.38 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.38 |
| ▸ | HDAC10 | Q969S8 | 1/20 | 0.38 |
| ▸ | HDAC11 | Q96DB2 | 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 | |
|---|---|---|---|---|
| SCHEMBL10307746 | 0.89 | MAPT (0.53) | ALDH1A1MAPTRXFP1CES1MMP12 | |
| SCHEMBL17381367 | 0.86 | CYP2C19 (0.49) | ALDH1A1MMP13SMN1; SMN2CYP2C19LMNA | |
| SCHEMBL22299026 | 0.85 | CYP2C19 (0.48) | ALDH1A1TRPA1TRPV1MAPTRXFP1 | |
| SCHEMBL15468646 | 0.84 | CYSLTR2 (0.38) | TRPA1TRPV1MAPTRXFP1CES1 | |
| SCHEMBL17973796 | 0.81 | CYP2C19 (0.43) | ALDH1A1MAPTMMP13SMN1; SMN2CYP2C19 | |
| SCHEMBL14027337 | 0.77 | ALDH1A1 (0.38) | ALDH1A1TRPA1TRPV1HDAC3HDAC4 | |
| SCHEMBL14027320 | 0.77 | ALDH1A1 (0.42) | ALDH1A1TRPA1TRPV1SMN1; SMN2CYP2C19 | |
| SCHEMBL21408461 | 0.75 | HTT (0.48) | ALDH1A1MAPTMAPK1SMN1; SMN2CYP1A2 | |
| Cpi 613 SCHEMBL13333201 | 0.75 | CYP2C19 (0.59) | ALDH1A1MAPTRXFP1HDAC3MAPK1 | |
| Cpi 613 SCHEMBL1062218 | 0.75 | CYP2C19 (0.59) | ALDH1A1MAPTRXFP1HDAC3MAPK1 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-9150509-B2 | Lipoic acid derivatives | CORNERSTONE PHARMACEUTICALS, INC. (US) | 2015-10-06 | — | — | US | disclosed |
| US-20140364502-A1 | LIPOIC ACID DERIVATIVES | CORNERSTONE PHARMACEUTICALS, INC. | 2014-12-11 | — | — | US | 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-20140364502-A1 | LIPOIC ACID DERIVATIVES | ALOX15, ALOX12, LIPC | ALDH1A1 538/4885TRPA1 3994/4885TRPV1 3878/4885 |
“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.