Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA2 | P00918 | 1/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.33 |
| ▸ | RARA | P10276 | 3/20 | 0.32 |
| ▸ | RARB | P10826 | 3/20 | 0.32 |
| ▸ | RARG | P13631 | 3/20 | 0.32 |
| ▸ | ELANE | P08246 | 1/20 | 0.32 |
| ▸ | GABRA1 | P14867 | 1/20 | 0.31 |
| ▸ | GABRB2 | P47870 | 1/20 | 0.31 |
| ▸ | GAA | P10253 | 1/20 | 0.30 |
| ▸ | PPARA | Q07869 | 1/20 | 0.30 |
| ▸ | TSHR | P16473 | 1/20 | 0.30 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL4677041 | 0.84 | CA2 (0.38) | CA2ALDH1A1GABRA1GABRB2GAA | |
| SCHEMBL6565823 | 0.83 | NR1H4 (0.38) | CA2ALDH1A1KDM4EELANEGABRA1 | |
| SCHEMBL8700619 | 0.83 | CA2 (0.33) | CA2ALDH1A1GABRA1GABRB2 | |
| SCHEMBL6567734 | 0.81 | ALDH1A1 (0.36) | CA2ALDH1A1KDM4ERARARARB | |
| SCHEMBL6568787 | 0.79 | ALOX5 (0.39) | CA2ALDH1A1KDM4EGABRA1GABRB2 | |
| SCHEMBL6771911 | 0.78 | CA2 (0.34) | CA2ALDH1A1KDM4EGABRA1GABRB2 | |
| SCHEMBL9371440 | 0.77 | CA2 (0.33) | CA2ALDH1A1GABRA1GABRB2 | |
| SCHEMBL3235703 | 0.77 | NR1H4 (0.43) | ALDH1A1GAATDP1 | |
| SCHEMBL6567771 | 0.74 | CA2 (0.55) | CA2ALDH1A1KDM4EGABRA1GABRB2 | |
| SCHEMBL6879527 | 0.72 | NPSR1 (0.37) | GAA |
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-8173696-B2 | Inhibitors of cysteine proteases and methods of use thereof | BAYLOR UNIVERSITY (US) | 2012-05-08 | — | — | US | disclosed |
| US-20090076076-A1 | INHIBITORS OF CYSTEINE PROTEASES AND METHODS OF USE THEREOF | BAYLOR UNIVERSITY (US) | 2009-03-19 | — | — | 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-20090076076-A1 | INHIBITORS OF CYSTEINE PROTEASES AND METHODS OF USE THEREOF | CTSB, CTSS, CTSZ | CA2 235/4885ALDH1A1 1623/4885KDM4E 3052/4885 |
“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.