Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.47 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.47 |
| ▸ | CTSK | P43235 | 3/20 | 0.46 |
| ▸ | ATM | Q13315 | 2/20 | 0.45 |
| ▸ | CTRB1 | P17538 | 2/20 | 0.45 |
| ▸ | CASP1 | P29466 | 2/20 | 0.45 |
| ▸ | TRPM8 | Q7Z2W7 | 1/20 | 0.45 |
| ▸ | NPC1 | O15118 | 1/20 | 0.45 |
| ▸ | RAB9A | P51151 | 1/20 | 0.45 |
| ▸ | KYNU | Q16719 | 1/20 | 0.44 |
| ▸ | SYK | P43405 | 1/20 | 0.44 |
| ▸ | ABCB1 | P08183 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL5605065 | 0.89 | CASP1 (0.50) | CTSKCTRB1CASP1 | |
| SCHEMBL6958944 | 0.83 | ATM (0.54) | ALDH1A1ATMCTRB1CASP1TRPM8 | |
| SCHEMBL16201457 | 0.83 | ATM (0.54) | ALDH1A1ATMCTRB1CASP1TRPM8 | |
| SCHEMBL1200289 | 0.79 | CTRB1 (0.51) | ALDH1A1ALOX15CTSKATMCTRB1 | |
| SCHEMBL10966776 | 0.79 | CTRB1 (0.61) | ALDH1A1ALOX15CTSKATMCTRB1 | |
| SCHEMBL5700948 | 0.78 | F2 (0.49) | ALDH1A1ATMCASP1ABCB1 | |
| SCHEMBL12861402 | 0.78 | CASP1 (0.49) | ALDH1A1ALOX15ATMCTRB1CASP1 | |
| SCHEMBL5700951 | 0.78 | F2 (0.49) | ALDH1A1ATMCASP1ABCB1 | |
| SCHEMBL6650427 | 0.78 | PPARG (0.47) | ALDH1A1ATMCASP1ABCB1 | |
| SCHEMBL6841182 | 0.78 | ATM (0.56) | ALDH1A1ALOX15CTSKATMCTRB1 |
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 9 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1817275-A1 | HALOALKYL CONTAINING COMPOUNDS AS CYSTEINE PROTEASE INHIBITORS | Schering Aktiengesellschaft (DE) | 2007-08-15 | — | — | EP | disclosed |
| US-20060122184-A1 | Cyanomethyl derivatives as cysteine protease inhibitors | AXYS PHARMACEUTICALS, INC. (US) | 2006-06-08 | — | — | US | disclosed |
| WO-2006060494-A1 | HALOALKYL CONTAINING COMPOUNDS AS CYSTEINE PROTEASE INHIBITORS | SCHERING AKTIENGESELLSCHAFT (DE) | 2006-06-08 | — | — | WO | disclosed |
| EP-1664003-A1 | HALOALKYL CONTAINING COMPOUNDS AS CYSTEINE PROTEASE INHIBITORS | AXYS PHARMACEUTICALS, INC. (US) | 2006-06-07 | — | — | EP | disclosed |
| EP-1569954-A1 | CYANOMETHYL DERIVATIVES AS CYSTEINE PROTEASE INHIBITORS | AXYS PHARMACEUTICALS, INC. (US) | 2005-09-07 | — | — | EP | disclosed |
| WO-2005028454-A1 | HALOALKYL CONTAINING COMPOUNDS AS CYSTEINE PROTEASE INHIBITORS | AXYS PHARMACEUTICALS, INC. (US) | 2005-03-31 | — | — | WO | disclosed |
| EP-1503997-A1 | CYSTEINE PROTEASE INHIBITORS | AXYS PHARMACEUTICALS, INC. (US) | 2005-02-09 | — | — | EP | disclosed |
| WO-2004052921-A1 | CYANOMETHYL DERIVATIVES AS CYSTEINE PROTEASE INHIBITORS | AXYS PHARMACEUTICALS, INC. (US) | 2004-06-24 | — | — | WO | disclosed |
| WO-2003097617-A1 | CYSTEINE PROTEASE INHIBITORS | AXYS PHARMACEUTICALS, INC. (US) | 2003-11-27 | — | — | 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-20060122184-A1 | Cyanomethyl derivatives as cysteine protease inhibitors | CTSF, CTSB, CTSK | ALDH1A1 3662/4885ALOX15 3388/4885CTSK 3/4885 |
“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.