Predicted protein targets (top 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | FAAH | O00519 | 1/20 | 0.32 |
| ▸ | CHRNB2 | P17787 | 1/20 | 0.32 |
| ▸ | CHRNB4 | P30926 | 1/20 | 0.32 |
| ▸ | CHRNA3 | P32297 | 1/20 | 0.32 |
| ▸ | CHRNA4 | P43681 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL1781585 | 0.82 | ALDH1A1 (0.33) | FAAH | |
| SCHEMBL13415700 | 0.82 | ALDH1A1 (0.39) | FAAH | |
| SCHEMBL12567246 | 0.82 | ALDH1A1 (0.39) | FAAH | |
| SCHEMBL12345501 | 0.80 | FAAH (0.33) | FAAH | |
| SCHEMBL14655206 | 0.79 | CHRNB2 (0.36) | CHRNB2CHRNB4CHRNA3CHRNA4 | |
| SCHEMBL3477951 | 0.79 | CHRNB2 (0.36) | CHRNB2CHRNB4CHRNA3CHRNA4 | |
| SCHEMBL14166969 | 0.79 | CHRNB2 (0.36) | CHRNB2CHRNB4CHRNA3CHRNA4 | |
| SCHEMBL2369153 | 0.77 | FAAH (0.43) | FAAH | |
| SCHEMBL3392036 | 0.76 | ALDH1A1 (0.38) | — | |
| SCHEMBL16584845 | 0.76 | LMNA (0.44) | FAAHCHRNB2CHRNB4CHRNA3CHRNA4 |
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 |
|---|---|---|---|---|---|---|---|
| EP-1159273-A1 | COMPOUNDS USEFUL AS REVERSIBLE INHIBITORS OF CATHEPSIN S | BOEHRINGER INGELHEIM PHARMACEUTICALS INC. (US) | 2001-12-05 | — | — | EP | disclosed |
| WO-2000051998-A1 | COMPOUNDS USEFUL AS REVERSIBLE INHIBITORS OF CATHEPSIN S | BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) | 2000-09-08 | — | — | WO | disclosed |