Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CAPN1 | P07384 | 8/20 | 0.53 |
| ▸ | PKM | P14618 | 1/20 | 0.53 |
| ▸ | PKLR | P30613 | 1/20 | 0.53 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.51 |
| ▸ | MEN1 | O00255 | 2/20 | 0.51 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.51 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.46 |
| ▸ | MAPT | P10636 | 1/20 | 0.46 |
| ▸ | HTT | P42858 | 1/20 | 0.46 |
| ▸ | LMNA | P02545 | 2/20 | 0.46 |
| ▸ | GAA | P10253 | 1/20 | 0.46 |
| ▸ | AKR1C3 | P42330 | 1/20 | 0.45 |
| ▸ | KAT6A | Q92794 | 1/20 | 0.44 |
| ▸ | ATM | Q13315 | 1/20 | 0.44 |
| ▸ | F2 | P00734 | 1/20 | 0.44 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.43 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.43 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.43 |
| ▸ | HDAC7 | Q8WUI4 | 1/20 | 0.43 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL7787021 | 1.00 | CAPN1 (0.53) | CAPN1PKMPKLRKMT2AMEN1 | |
| SCHEMBL7786967 | 0.90 | CAPN1 (0.50) | CAPN1ALDH1A1HTTHDAC1 | |
| SCHEMBL7786963 | 0.90 | CAPN1 (0.50) | CAPN1ALDH1A1HTTHDAC1 | |
| SCHEMBL7790018 | 0.89 | CAPN1 (0.53) | CAPN1PKMPKLRKMT2AMEN1 | |
| SCHEMBL7790014 | 0.89 | CAPN1 (0.53) | CAPN1PKMPKLRKMT2AMEN1 | |
| SCHEMBL7787036 | 0.86 | PKM (0.54) | PKMPKLRKMT2AMEN1ALDH1A1 | |
| SCHEMBL7787038 | 0.86 | PKM (0.54) | PKMPKLRKMT2AMEN1ALDH1A1 | |
| SCHEMBL7787807 | 0.85 | ALDH1A1 (0.56) | CAPN1KMT2AMEN1ALDH1A1SMN1; SMN2 | |
| SCHEMBL7787808 | 0.85 | ALDH1A1 (0.56) | CAPN1KMT2AMEN1ALDH1A1SMN1; SMN2 | |
| SCHEMBL7782218 | 0.84 | AKR1C3 (0.53) | CAPN1KMT2AMEN1ALDH1A1SMN1; SMN2 |
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 1 patent. 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 |