Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.48 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.44 |
| ▸ | CYP2C9 | P11712 | 3/20 | 0.43 |
| ▸ | CYP2C19 | P33261 | 3/20 | 0.43 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.43 |
| ▸ | GAA | P10253 | 2/20 | 0.42 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.42 |
| ▸ | HPGD | P15428 | 2/20 | 0.40 |
| ▸ | HTT | P42858 | 2/20 | 0.40 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.39 |
| ▸ | MAPT | P10636 | 1/20 | 0.39 |
| ▸ | CA1 | P00915 | 1/20 | 0.39 |
| ▸ | CA2 | P00918 | 1/20 | 0.39 |
| ▸ | ACP3 | P15309 | 3/20 | 0.38 |
| ▸ | CTSG | P08311 | 1/20 | 0.38 |
| ▸ | CMA1 | P23946 | 1/20 | 0.38 |
| ▸ | NR4A1 | P22736 | 1/20 | 0.38 |
| ▸ | NR4A2 | P43354 | 1/20 | 0.38 |
| ▸ | NR4A3 | Q92570 | 1/20 | 0.38 |
| ▸ | AURKA | O14965 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL5610580 | 0.85 | ALDH1A1 (0.49) | ALDH1A1ALOX5CYP2C9CYP2C19CYP1A2 | |
| SCHEMBL27853930 | 0.83 | ALDH1A1 (0.43) | ALDH1A1ALOX5CYP2C9CYP2C19CYP1A2 | |
| SCHEMBL8721957 | 0.82 | ALDH1A1 (0.43) | ALDH1A1ALOX5CYP2C9CYP2C19CYP1A2 | |
| SCHEMBL4660167 | 0.81 | ALDH1A1 (0.46) | ALDH1A1ALOX5CYP2C9CYP2C19CYP1A2 | |
| SCHEMBL8858633 | 0.80 | ALDH1A1 (0.44) | ALDH1A1ALOX5CYP2C9CYP2C19CYP1A2 | |
| SCHEMBL12651209 | 0.77 | CYP2C19 (0.36) | ALDH1A1CYP2C19GAAHPGDHTT | |
| SCHEMBL1665813 | 0.77 | ALDH1A1 (0.55) | ALDH1A1ALOX5CYP2C9CYP2C19CYP1A2 | |
| SCHEMBL4127559 | 0.76 | ALDH1A1 (0.51) | ALDH1A1ALOX5CYP2C9CYP2C19CYP1A2 | |
| SCHEMBL6799998 | 0.76 | CXCL8 (0.41) | ALDH1A1CYP2C9CYP2C19KDM4EACP3 | |
| SCHEMBL28227064 | 0.75 | ALDH1A1 (0.60) | ALDH1A1ALOX5CYP2C9CYP2C19CYP1A2 |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6730671-B2 | ENZYME INHIBITOR TREATING AUTOIMMUNE DISEASES, ALZHEIMER'S DISEASE, ATHEROSCLEROSIS | BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. | 2004-05-04 | — | — | US | disclosed |
| US-20030158406-A1 | Compounds useful as reversible inhibitors of cathepsin S | BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. | 2003-08-21 | — | — | US | disclosed |
| US-6608057-B2 | Compounds useful as reversible inhibitors of cathepsin S | BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. | 2003-08-19 | — | — | US | disclosed |
| US-20020091259-A1 | Compounds useful as reversible inhibitors of cathepsin S | CYWIN CHARLES L (US) | 2002-07-11 | — | — | US | disclosed |
| US-6395897-B1 | DRUGS FOR ENZYME INHIBITORS ANTICOAGULANTS AND TREATMENT OF AUTOIMMUNE DISEASE | BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. | 2002-05-28 | — | — | 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 (2 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-20020091259-A1 | Compounds useful as reversible inhibitors of cathepsin S | CTSS, CTSB, CTSV | ALDH1A1 1591/4885ALOX5 2289/4885CYP2C9 3732/4885 |
| US-20030158406-A1 | Compounds useful as reversible inhibitors of cathepsin S | CTSS, CTSB, CTSV | ALDH1A1 1591/4885ALOX5 2289/4885CYP2C9 3732/4885 |
“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.