Predicted protein targets (top 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CAPN1 | P07384 | 10/20 | 0.70 |
| ▸ | ATM | Q13315 | 1/20 | 0.49 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.49 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.49 |
| ▸ | CTRB1 | P17538 | 3/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL7786975 | 1.00 | CAPN1 (0.70) | CAPN1ATMTDP1L3MBTL1CTRB1 | |
| SCHEMBL7789383 | 0.90 | CAPN1 (0.75) | CAPN1CTRB1 | |
| SCHEMBL7374424 | 0.90 | CAPN1 (0.75) | CAPN1CTRB1 | |
| SCHEMBL7378642 | 0.87 | CAPN1 (0.74) | CAPN1CTRB1 | |
| SCHEMBL40781 | 0.87 | CAPN1 (0.74) | CAPN1CTRB1 | |
| SCHEMBL22098385 | 0.85 | CAPN1 (0.61) | CAPN1 | |
| SCHEMBL7787032 | 0.82 | CAPN1 (1.00) | CAPN1 | |
| SCHEMBL7376183 | 0.82 | CAPN1 (1.00) | CAPN1 | |
| SCHEMBL24862929 | 0.80 | ALDH1A1 (0.60) | CAPN1 | |
| SCHEMBL7789884 | 0.80 | ROCK2 (0.57) | ATMTDP1L3MBTL1CTRB1 |
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 |