Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CAPN1 | P07384 | 1/20 | 0.57 |
| ▸ | SLC6A3 | Q01959 | 2/20 | 0.56 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.56 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.56 |
| ▸ | HTT | P42858 | 2/20 | 0.50 |
| ▸ | LMNA | P02545 | 1/20 | 0.50 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.49 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.49 |
| ▸ | NPC1 | O15118 | 1/20 | 0.49 |
| ▸ | HPGD | P15428 | 1/20 | 0.49 |
| ▸ | RAB9A | P51151 | 1/20 | 0.49 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.49 |
| ▸ | ESR1 | P03372 | 1/20 | 0.49 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.49 |
| ▸ | VDR | P11473 | 2/20 | 0.48 |
| ▸ | FFAR4 | Q5NUL3 | 1/20 | 0.48 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.48 |
| ▸ | MAPT | P10636 | 1/20 | 0.48 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.48 |
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 | |
|---|---|---|---|---|
| SCHEMBL9598538 | 0.90 | RAB9A (0.53) | CAPN1SLC6A3SLC6A2SLC6A4LMNA | |
| SCHEMBL10411181 | 0.87 | SLC6A3 (0.58) | SLC6A3HTTLMNAKDM4ERAB9A | |
| SCHEMBL9346892 | 0.86 | CAPN1 (0.55) | CAPN1HTTLMNAALDH1A1HPGD | |
| SCHEMBL7908641 | 0.86 | ALOX5 (0.55) | CAPN1NPC1FFAR4MAPT | |
| SCHEMBL9229534 | 0.86 | CAPN1 (0.47) | CAPN1SLC6A3SLC6A2SLC6A4HTT | |
| SCHEMBL1388149 | 0.84 | CAPN1 (0.60) | CAPN1HTTKDM4EALDH1A1NPC1 | |
| SCHEMBL10434698 | 0.83 | CAPN1 (0.54) | CAPN1HTTLMNAKDM4EALDH1A1 | |
| Water SCHEMBL8980780 | 0.83 | CAPN1 (0.49) | CAPN1HTTLMNAKDM4ERAB9A | |
| SCHEMBL7390738 | 0.83 | PARP1 (0.67) | CAPN1SLC6A3HTTLMNAKDM4E | |
| SCHEMBL978857 | 0.82 | HTT (0.64) | SLC6A3HTTLMNAALDH1A1NPC1 |
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 |