Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.39 |
| ▸ | HAO1 | Q9UJM8 | 1/20 | 0.36 |
| ▸ | PTGES | O14684 | 1/20 | 0.36 |
| ▸ | NPC1 | O15118 | 1/20 | 0.36 |
| ▸ | TP53 | P04637 | 1/20 | 0.36 |
| ▸ | RAB9A | P51151 | 1/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.36 |
| ▸ | CTSS | P25774 | 2/20 | 0.35 |
| ▸ | CTSK | P43235 | 2/20 | 0.35 |
| ▸ | GAA | P10253 | 1/20 | 0.34 |
| ▸ | MMP2 | P08253 | 3/20 | 0.34 |
| ▸ | MMP3 | P08254 | 2/20 | 0.34 |
| ▸ | MMP13 | P45452 | 2/20 | 0.34 |
| ▸ | PTGDR2 | Q9Y5Y4 | 1/20 | 0.34 |
| ▸ | MMP1 | P03956 | 1/20 | 0.33 |
| ▸ | MMP9 | P14780 | 1/20 | 0.33 |
| ▸ | MMP8 | P22894 | 1/20 | 0.33 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.33 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.33 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL1861139 | 0.90 | ALDH1A1 (0.36) | ALDH1A1HAO1PTGESNPC1TP53 | |
| SCHEMBL1855155 | 0.87 | STAT5B (0.37) | ALDH1A1HAO1PTGESTP53CTSS | |
| SCHEMBL1860841 | 0.86 | PDE4A (0.38) | ALDH1A1TP53RAB9ASMN1; SMN2GAA | |
| SCHEMBL1857567 | 0.85 | KDM4E (0.39) | ALDH1A1HAO1CTSSCTSKGAA | |
| SCHEMBL1855996 | 0.84 | STAT5B (0.36) | ALDH1A1HAO1PTGESTP53GAA | |
| SCHEMBL1859570 | 0.80 | MMP13 (0.38) | CTSSCTSKMMP2MMP3MMP13 | |
| SCHEMBL1855947 | 0.78 | MMP13 (0.41) | ALDH1A1MMP2MMP3MMP13MMP1 | |
| SCHEMBL1857439 | 0.78 | PTGDR2 (0.39) | HAO1RAB9ASMN1; SMN2GAAPTGDR2 | |
| SCHEMBL3467263 | 0.77 | PTPN2 (0.39) | MMP13PTGER1 | |
| SCHEMBL1858017 | 0.77 | PTGDR2 (0.41) | ALDH1A1HAO1NPC1RAB9ASMN1; SMN2 |
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-20110105544-A1 | CARBOXYLIC DERIVATIVES FOR USE IN THE TREATMENT OF CANCER | CRYSTAX PHARMACEUTICALS, S.L. (ES) | 2011-05-05 | — | — | US | disclosed |
| WO-2009080722-A2 | CARBOXYLIC DERIVATIVES FOR USE IN THE TREATMENT OF CANCER | CRYSTAX PHARMACEUTICALS, S.L. (ES) | 2009-07-02 | — | — | 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-20110105544-A1 | CARBOXYLIC DERIVATIVES FOR USE IN THE TREATMENT OF CANCER | AKR1C3, TPD52L2, HCCS | ALDH1A1 198/4885HAO1 622/4885PTGES 3899/4885 |
“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.