Predicted protein targets (top 7)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CAPN1 | P07384 | 13/20 | 0.67 |
| ▸ | CHRNB2 | P17787 | 2/20 | 0.55 |
| ▸ | CHRNB4 | P30926 | 2/20 | 0.55 |
| ▸ | CHRNA3 | P32297 | 2/20 | 0.55 |
| ▸ | CHRNA4 | P43681 | 2/20 | 0.55 |
| ▸ | ACE | P12821 | 1/20 | 0.49 |
| ▸ | TACR2 | P21452 | 1/20 | 0.47 |
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 | |
|---|---|---|---|---|
| SCHEMBL7375338 | 1.00 | CAPN1 (0.67) | CAPN1CHRNB2CHRNB4CHRNA3CHRNA4 | |
| SCHEMBL19248290 | 0.83 | CAPN1 (0.71) | CAPN1ACE | |
| SCHEMBL6534463 | 0.82 | TACR3 (0.60) | CAPN1TACR2 | |
| SCHEMBL6534466 | 0.82 | TACR3 (0.60) | CAPN1TACR2 | |
| SCHEMBL24862871 | 0.82 | CAPN1 (0.73) | CAPN1 | |
| SCHEMBL24862869 | 0.82 | CAPN1 (0.69) | CAPN1 | |
| SCHEMBL24862946 | 0.82 | CAPN1 (0.69) | CAPN1 | |
| SCHEMBL24863043 | 0.82 | CAPN1 (0.69) | CAPN1ACE | |
| SCHEMBL7786977 | 0.81 | CAPN1 (1.00) | CAPN1ACE | |
| SCHEMBL7787032 | 0.81 | CAPN1 (1.00) | CAPN1ACE |
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 |
|---|---|---|---|---|---|---|---|
| US-6251917-B1 | Benzamidoaldehydes and their use as cysteine protease inhibitors | BASF AKTIENGESELLSCHAFT (DE) | 2001-06-26 | — | — | US | disclosed |
| EP-0944584-A1 | BENZAMIDOALDEHYDES AND THEIR USE AS CYSTEINE PROTEASE INHIBITORS | BASF AKTIENGESELLSCHAFT (DE) | 1999-09-29 | — | — | EP | disclosed |
| WO-1998023581-A1 | BENZAMIDOALDEHYDES AND THEIR USE AS CYSTEINE PROTEASE INHIBITORS | BASF AKTIENGESELLSCHAFT (DE) | 1998-06-04 | — | — | WO | disclosed |