Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SLC7A5 | Q01650 | 1/20 | 0.42 |
| ▸ | CACNA2D1 | P54289 | 2/20 | 0.41 |
| ▸ | CACNB3 | P54284 | 1/20 | 0.41 |
| ▸ | CACNA1C | Q13936 | 1/20 | 0.41 |
| ▸ | PGR | P06401 | 1/20 | 0.41 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.41 |
| ▸ | HTR2B | P41595 | 1/20 | 0.41 |
| ▸ | CACNA2D2 | Q9NY47 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.38 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.38 |
| ▸ | RNPEP | Q9H4A4 | 1/20 | 0.37 |
| ▸ | SLC1A3 | P43003 | 1/20 | 0.37 |
| ▸ | SLC1A2 | P43004 | 1/20 | 0.37 |
| ▸ | ANPEP | P15144 | 4/20 | 0.36 |
| ▸ | LAP3 | P28838 | 2/20 | 0.36 |
| ▸ | ERAP1 | Q9NZ08 | 1/20 | 0.36 |
| ▸ | TSHR | P16473 | 2/20 | 0.35 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.35 |
| ▸ | CA2 | P00918 | 1/20 | 0.35 |
| ▸ | ECE1 | P42892 | 2/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL11413659 | 0.89 | ECE1 (0.35) | SLC7A5CACNA2D1CACNB3CACNA1CPGR | |
| Tricarballylic Acid SCHEMBL9979059 | 0.84 | CACNA2D1 (0.44) | SLC7A5CACNA2D1CACNB3CACNA1CPGR | |
| SCHEMBL9979307 | 0.84 | TDP1 (0.52) | SLC7A5CACNA2D1CACNB3CACNA1CPGR | |
| SCHEMBL3392036 | 0.83 | ALDH1A1 (0.38) | CACNA2D1CACNB3CACNA1CPGRADRA1A | |
| SCHEMBL28225423 | 0.83 | SLC1A3 (0.57) | SLC7A5CACNA2D1CACNB3CACNA1CPGR | |
| SCHEMBL27368082 | 0.82 | ECE1 (0.32) | SLC7A5CACNA2D1CACNB3CACNA1CPGR | |
| SCHEMBL9105209 | 0.79 | CACNA2D1 (0.52) | SLC7A5CACNA2D1CACNB3CACNA1CPGR | |
| SCHEMBL4659755 | 0.79 | CACNA2D1 (0.52) | SLC7A5CACNA2D1CACNB3CACNA1CPGR | |
| Acetamide SCHEMBL4103797 | 0.78 | LMNA (0.47) | CACNA2D1CACNB3CACNA1CALDH1A1TDP1 | |
| SCHEMBL28032352 | 0.78 | ALDH1A1 (0.41) | SLC7A5CACNA2D1CACNB3CACNA1CPGR |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0821675-A1 | NOVEL HYDROXAMIC ACID AND AMINO-CARBOXYLATE COMPOUNDS AS METALLOPROTEASE AND TNF INHIBITORS | THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) | 1998-02-04 | — | — | EP | claimed |
| WO-1996033176-A1 | NOVEL HYDROXAMIC ACID AND AMINO-CARBOXYLATE COMPOUNDS AS METALLOPROTEASE AND TNF INHIBITORS | THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) | 1996-10-24 | — | — | WO | claimed |