Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2D6 | P10635 | 1/20 | 0.43 |
| ▸ | HTT | P42858 | 1/20 | 0.43 |
| ▸ | ASAH1 | Q13510 | 1/20 | 0.40 |
| ▸ | LSS | P48449 | 3/20 | 0.40 |
| ▸ | CACNA2D1 | P54289 | 1/20 | 0.39 |
| ▸ | CACNA1B | Q00975 | 1/20 | 0.39 |
| ▸ | CACNB1 | Q02641 | 1/20 | 0.39 |
| ▸ | CACNA1C | Q13936 | 1/20 | 0.39 |
| ▸ | CHRNB2 | P17787 | 1/20 | 0.38 |
| ▸ | CHRNB4 | P30926 | 1/20 | 0.38 |
| ▸ | CHRNA3 | P32297 | 1/20 | 0.38 |
| ▸ | CHRNA4 | P43681 | 1/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.38 |
| ▸ | LMNA | P02545 | 1/20 | 0.38 |
| ▸ | HPGD | P15428 | 1/20 | 0.38 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.38 |
| ▸ | SLC6A2 | P23975 | 2/20 | 0.37 |
| ▸ | SLC6A4 | P31645 | 2/20 | 0.37 |
| ▸ | SLC6A3 | Q01959 | 2/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL5516446 | 0.91 | CYP2D6 (0.43) | CYP2D6HTTASAH1LSSCACNA2D1 | |
| SCHEMBL5516441 | 0.91 | CYP2D6 (0.43) | CYP2D6HTTASAH1LSSCACNA2D1 | |
| SCHEMBL5516437 | 0.91 | CYP2D6 (0.43) | CYP2D6HTTASAH1LSSCACNA2D1 | |
| SCHEMBL5519252 | 0.88 | CTSS (0.43) | CYP2D6HTTASAH1LSSGRM2 | |
| SCHEMBL5515090 | 0.88 | CTSS (0.43) | CYP2D6HTTASAH1LSSGRM2 | |
| SCHEMBL5519248 | 0.88 | CTSS (0.43) | CYP2D6HTTASAH1LSSGRM2 | |
| SCHEMBL5516084 | 0.83 | CYP2D6 (0.41) | CYP2D6HTTLSSCACNA2D1CACNA1B | |
| SCHEMBL5516087 | 0.83 | CYP2D6 (0.41) | CYP2D6HTTLSSCACNA2D1CACNA1B | |
| SCHEMBL5510964 | 0.81 | DRD2 (0.42) | ALDH1A1KDM4ESLC6A2SLC6A4SLC6A3 | |
| SCHEMBL5510970 | 0.81 | DRD2 (0.42) | ALDH1A1KDM4ESLC6A2SLC6A4SLC6A3 |
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-7279478-B2 | Cathepsin cysteine protease inhibitors | MERCK FROSST CANADA & CO. (CA) | 2007-10-09 | — | — | US | disclosed |
| US-20060122268-A1 | Cathepsin cysteine protease inhibitors | MERCK CANADA INC. (CA) | 2006-06-08 | — | — | 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-20060122268-A1 | Cathepsin cysteine protease inhibitors | CTSB, CTSS, CTSK | CYP2D6 3665/4885HTT 2794/4885ASAH1 166/4885 |
“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.