Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.39 |
| ▸ | CYP11B1 | P15538 | 1/20 | 0.39 |
| ▸ | CYP11B2 | P19099 | 1/20 | 0.39 |
| ▸ | TSHR | P16473 | 1/20 | 0.37 |
| ▸ | CYP2E1 | P05181 | 1/20 | 0.37 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.37 |
| ▸ | CYP2B6 | P20813 | 1/20 | 0.37 |
| ▸ | NOTUM | Q6P988 | 1/20 | 0.36 |
| ▸ | NPC1 | O15118 | 2/20 | 0.34 |
| ▸ | RAB9A | P51151 | 2/20 | 0.34 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.34 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.34 |
| ▸ | MEN1 | O00255 | 1/20 | 0.34 |
| ▸ | LMNA | P02545 | 1/20 | 0.34 |
| ▸ | MAPT | P10636 | 1/20 | 0.34 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.34 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.34 |
| ▸ | RELA | Q04206 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL27708181 | 0.78 | HDAC6 (0.41) | HDAC6ALDH1A1CYP11B1CYP11B2CYP2E1 | |
| SCHEMBL379478 | 0.78 | HDAC6 (0.44) | HDAC6ALDH1A1CYP11B1CYP11B2CYP2E1 | |
| SCHEMBL15314018 | 0.75 | HDAC6 (0.39) | HDAC6ALDH1A1CYP11B1CYP11B2CYP2E1 | |
| SCHEMBL2600074 | 0.75 | HDAC6 (0.39) | HDAC6ALDH1A1CYP11B1CYP11B2CYP2E1 | |
| SCHEMBL28933424 | 0.74 | HDAC6 (0.45) | HDAC6ALDH1A1CYP11B1CYP11B2CYP2E1 | |
| SCHEMBL7014691 | 0.72 | CYP11B1 (0.42) | HDAC6ALDH1A1CYP11B1CYP11B2TSHR | |
| SCHEMBL22022356 | 0.71 | HDAC6 (0.36) | HDAC6ALDH1A1CYP11B1CYP11B2CYP2E1 | |
| SCHEMBL7017974 | 0.71 | TOP1 (0.41) | ALDH1A1NPC1RAB9ASMN1; SMN2KDM4E | |
| SCHEMBL7915311 | 0.70 | HSD17B1 (0.61) | HDAC6ALDH1A1CYP2E1CYP2A6CYP2B6 | |
| SCHEMBL927627 | 0.68 | ALDH1A1 (0.44) | HDAC6ALDH1A1CYP11B1CYP11B2CYP2E1 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20040014801-A1 | Thio semicarbazone and semicarbazone inhibitors of cysteine proteases and methods of their use | THE REGENTS OF THE UNIVERSITY OF CALIFORNIA | 2004-01-22 | — | — | 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-20040014801-A1 | Thio semicarbazone and semicarbazone inhibitors of cysteine proteases and methods of their use | CTSB, CTSS, CTSL | HDAC6 366/4885ALDH1A1 1366/4885CYP11B1 1673/4885 |
“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.