Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.50 |
| ▸ | AR | P10275 | 1/20 | 0.50 |
| ▸ | SLC13A5 | Q86YT5 | 3/20 | 0.49 |
| ▸ | KEAP1 | Q14145 | 1/20 | 0.48 |
| ▸ | NPC1 | O15118 | 2/20 | 0.47 |
| ▸ | RAB9A | P51151 | 2/20 | 0.47 |
| ▸ | POLB | P06746 | 1/20 | 0.47 |
| ▸ | MAPT | P10636 | 1/20 | 0.47 |
| ▸ | GRM2 | Q14416 | 1/20 | 0.46 |
| ▸ | GRM3 | Q14832 | 1/20 | 0.46 |
| ▸ | MEN1 | O00255 | 1/20 | 0.46 |
| ▸ | HTT | P42858 | 1/20 | 0.46 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.46 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.46 |
| ▸ | HDAC3 | O15379 | 2/20 | 0.45 |
| ▸ | HDAC4 | P56524 | 2/20 | 0.45 |
| ▸ | HDAC1 | Q13547 | 2/20 | 0.45 |
| ▸ | HDAC7 | Q8WUI4 | 2/20 | 0.45 |
| ▸ | HDAC2 | Q92769 | 2/20 | 0.45 |
| ▸ | HDAC10 | Q969S8 | 2/20 | 0.45 |
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 | |
|---|---|---|---|---|
| SCHEMBL6628038 | 1.00 | ALDH1A1 (0.50) | ALDH1A1ARSLC13A5KEAP1NPC1 | |
| SCHEMBL5475208 | 1.00 | ALDH1A1 (0.50) | ALDH1A1ARSLC13A5KEAP1NPC1 | |
| SCHEMBL28351862 | 0.88 | POLB (0.53) | ALDH1A1KEAP1NPC1RAB9APOLB | |
| SCHEMBL22781383 | 0.88 | ALDH1A1 (0.52) | ALDH1A1ARSLC13A5KEAP1NPC1 | |
| SCHEMBL27957913 | 0.86 | AR (0.47) | ALDH1A1ARSLC13A5KEAP1NPC1 | |
| SCHEMBL5619673 | 0.86 | MAPT (0.52) | POLBMAPTGRM2GRM3MEN1 | |
| SCHEMBL6912517 | 0.86 | AR (0.47) | ALDH1A1ARSLC13A5KEAP1NPC1 | |
| SCHEMBL6914641 | 0.86 | AR (0.47) | ALDH1A1ARSLC13A5KEAP1NPC1 | |
| SCHEMBL20176094 | 0.85 | NPC1 (0.46) | ALDH1A1ARSLC13A5KEAP1NPC1 | |
| SCHEMBL9781113 | 0.85 | MAPT (0.55) | POLBMAPTGRM2GRM3HDAC3 |
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 |
|---|---|---|---|---|---|---|---|
| US-20040142999-A1 | Novel compounds and compositions as cathepsin inhibitors | AVENTIS PHARMACEUTICALS INC. (US) | 2004-07-22 | — | — | US | disclosed |
| EP-1397340-A2 | CHEMICAL COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS AS CATHEPSIN S INHIBITORS | AXYS PHARMACEUTICALS, INC. (US) | 2004-03-17 | — | — | EP | disclosed |
| WO-2002098850-A2 | CHEMICAL COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS AS CATHEPSIN S INHIBITORS | AXYS PHARMACEUTICALS, INC. (US) | 2002-12-12 | — | — | 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-20040142999-A1 | Novel compounds and compositions as cathepsin inhibitors | CTSS, CTSB, CTSE | ALDH1A1 4046/4885AR 4095/4885SLC13A5 2321/4885 |
“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.