Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MEN1 | O00255 | 4/20 | 0.53 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.53 |
| ▸ | CAPN1 | P07384 | 5/20 | 0.53 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.52 |
| ▸ | HDAC1 | Q13547 | 3/20 | 0.51 |
| ▸ | CASP3 | P42574 | 1/20 | 0.47 |
| ▸ | HDAC8 | Q9BY41 | 2/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.47 |
| ▸ | LMNA | P02545 | 1/20 | 0.47 |
| ▸ | HPGD | P15428 | 1/20 | 0.47 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.47 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.47 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.47 |
| ▸ | HDAC7 | Q8WUI4 | 1/20 | 0.47 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.47 |
| ▸ | HDAC10 | Q969S8 | 1/20 | 0.47 |
| ▸ | HDAC11 | Q96DB2 | 1/20 | 0.47 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.47 |
| ▸ | HDAC9 | Q9UKV0 | 1/20 | 0.47 |
| ▸ | HDAC5 | Q9UQL6 | 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 | |
|---|---|---|---|---|
| SCHEMBL7791366 | 1.00 | MEN1 (0.53) | MEN1KMT2ACAPN1TDP1HDAC1 | |
| SCHEMBL7787808 | 0.88 | ALDH1A1 (0.56) | MEN1KMT2ACAPN1HDAC1HDAC8 | |
| SCHEMBL7787807 | 0.88 | ALDH1A1 (0.56) | MEN1KMT2ACAPN1HDAC1HDAC8 | |
| SCHEMBL7378076 | 0.87 | CAPN1 (0.53) | MEN1KMT2ACAPN1HDAC8HDAC2 | |
| SCHEMBL7782239 | 0.87 | CAPN1 (0.53) | MEN1KMT2ACAPN1HDAC8HDAC2 | |
| SCHEMBL7786963 | 0.82 | CAPN1 (0.50) | CAPN1HDAC1ALDH1A1 | |
| SCHEMBL7786967 | 0.82 | CAPN1 (0.50) | CAPN1HDAC1ALDH1A1 | |
| SCHEMBL7782130 | 0.82 | MAPK1 (0.58) | MEN1KMT2ATDP1HDAC1HDAC8 | |
| SCHEMBL7380786 | 0.82 | MAPK1 (0.58) | MEN1KMT2ATDP1HDAC1HDAC8 | |
| SCHEMBL40781 | 0.82 | CAPN1 (0.74) | CAPN1HPGD |
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 |