Predicted protein targets (top 6)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 2/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.36 |
| ▸ | ADH1B | P00325 | 1/20 | 0.31 |
| ▸ | ADH1C | P00326 | 1/20 | 0.31 |
| ▸ | ADH1A | P07327 | 1/20 | 0.31 |
| ▸ | ADH7 | P40394 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL3953073 | 0.88 | — | — | |
| SCHEMBL6523913 | 0.82 | TSHR (0.39) | TSHRALDH1A1ADH1BADH1CADH1A | |
| SCHEMBL17520284 | 0.81 | TSHR (0.43) | TSHRALDH1A1ADH1BADH1CADH1A | |
| SCHEMBL21496078 | 0.79 | TSHR (0.46) | TSHRALDH1A1ADH1BADH1CADH1A | |
| SCHEMBL5749398 | 0.76 | CA2 (0.32) | ALDH1A1 | |
| SCHEMBL1238255 | 0.74 | DUT (0.35) | TSHRALDH1A1 | |
| SCHEMBL27511881 | 0.73 | TSHR (0.41) | TSHRALDH1A1ADH1BADH1CADH1A | |
| SCHEMBL31283347 | 0.72 | DUT (0.38) | — | |
| SCHEMBL1317211 | 0.72 | ADRB2 (0.42) | TSHRALDH1A1 | |
| SCHEMBL13509577 | 0.70 | TSHR (0.46) | TSHRALDH1A1ADH1BADH1CADH1A |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1482924-A4 | CATHEPSIN CYSTEINE PROTEASE INHIBITORS | MERCK FROSST CANADA INC (CA) | 2006-03-08 | — | — | EP | disclosed |
| EP-1482924-A2 | CATHEPSIN CYSTEINE PROTEASE INHIBITORS | MERCK FROSST CANADA INC. (CA) | 2004-12-08 | — | — | EP | disclosed |
| WO-2003075836-A2 | CATHEPSIN CYSTEINE PROTEASE INHIBITORS | MERCK FROSST CANADA & CO. (CA) | 2003-09-18 | — | — | WO | disclosed |