Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CAPN1 | P07384 | 4/20 | 0.48 |
| ▸ | SLC16A3 | O15427 | 3/20 | 0.46 |
| ▸ | F2 | P00734 | 1/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.43 |
| ▸ | LMNA | P02545 | 1/20 | 0.43 |
| ▸ | GAA | P10253 | 1/20 | 0.43 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.43 |
| ▸ | PIN1 | Q13526 | 1/20 | 0.43 |
| ▸ | MEN1 | O00255 | 2/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.43 |
| ▸ | POLB | P06746 | 1/20 | 0.43 |
| ▸ | MAPT | P10636 | 1/20 | 0.43 |
| ▸ | BLM | P54132 | 1/20 | 0.43 |
| ▸ | PKM | P14618 | 1/20 | 0.43 |
| ▸ | PKLR | P30613 | 1/20 | 0.43 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.42 |
| ▸ | GHSR | Q92847 | 1/20 | 0.42 |
| ▸ | BCL2 | P10415 | 1/20 | 0.42 |
| ▸ | BCL2L1 | Q07817 | 1/20 | 0.42 |
| ▸ | MCL1 | Q07820 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL7789807 | 1.00 | CAPN1 (0.48) | CAPN1SLC16A3F2ALDH1A1LMNA | |
| SCHEMBL7782245 | 0.86 | PIN1 (0.51) | SLC16A3F2ALDH1A1LMNAGAA | |
| SCHEMBL7782243 | 0.86 | PIN1 (0.51) | SLC16A3F2ALDH1A1LMNAGAA | |
| SCHEMBL7787807 | 0.85 | ALDH1A1 (0.56) | CAPN1SLC16A3F2ALDH1A1LMNA | |
| SCHEMBL7787808 | 0.85 | ALDH1A1 (0.56) | CAPN1SLC16A3F2ALDH1A1LMNA | |
| SCHEMBL7782218 | 0.84 | AKR1C3 (0.53) | CAPN1SLC16A3F2ALDH1A1LMNA | |
| SCHEMBL7782219 | 0.84 | AKR1C3 (0.53) | CAPN1SLC16A3F2ALDH1A1LMNA | |
| SCHEMBL7384115 | 0.84 | CAPN1 (0.60) | CAPN1SLC16A3BCL2BCL2L1MCL1 | |
| SCHEMBL7791340 | 0.84 | CAPN1 (0.60) | CAPN1SLC16A3BCL2BCL2L1MCL1 | |
| SCHEMBL7787021 | 0.83 | CAPN1 (0.53) | CAPN1F2ALDH1A1LMNAGAA |
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 |