Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PLA2G10 | O15496 | 1/20 | 0.41 |
| ▸ | PLA2G5 | P39877 | 1/20 | 0.41 |
| ▸ | DDB1 | Q16531 | 4/20 | 0.39 |
| ▸ | CRBN | Q96SW2 | 4/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.37 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.37 |
| ▸ | HCRTR1 | O43613 | 1/20 | 0.37 |
| ▸ | HCRTR2 | O43614 | 1/20 | 0.37 |
| ▸ | STS | P08842 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.36 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.36 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.36 |
| ▸ | IKZF3 | Q9UKT9 | 1/20 | 0.36 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.36 |
| ▸ | TSHR | P16473 | 1/20 | 0.36 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.36 |
| ▸ | CCKBR | P32239 | 1/20 | 0.36 |
| ▸ | MAP1LC3B | Q9GZQ8 | 2/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL6157528 | 0.86 | DDB1 (0.39) | PLA2G10PLA2G5DDB1CRBNL3MBTL1 | |
| SCHEMBL6159979 | 0.84 | PLA2G10 (0.44) | PLA2G10PLA2G5KMT2AL3MBTL1HCRTR1 | |
| SCHEMBL5958852 | 0.75 | MAP1LC3B (0.45) | DDB1CRBNL3MBTL1STSALDH1A1 | |
| SCHEMBL6160694 | 0.75 | CRBN (0.47) | DDB1CRBNALDH1A1CHRM2OPRM1 | |
| SCHEMBL8895762 | 0.74 | CCKBR (0.56) | CCKBR | |
| SCHEMBL4120260 | 0.73 | ALDH1A1 (0.50) | DDB1CRBNKMT2AALDH1A1CHRM2 | |
| SCHEMBL6159850 | 0.72 | CASP1 (0.47) | CCKBR | |
| SCHEMBL7345149 | 0.72 | MME (0.51) | DDB1CRBNL3MBTL1ALDH1A1CHRM2 | |
| SCHEMBL10566783 | 0.69 | DDB1 (0.38) | DDB1CRBNL3MBTL1ALDH1A1CHRM2 | |
| SCHEMBL10566940 | 0.69 | DDB1 (0.38) | DDB1CRBNL3MBTL1ALDH1A1CHRM2 |
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-1062210-B1 | 1,2-DIAZEPANE DERIVATIVES AS INTERLEUKIN-1BETA CONVERTING ENZYME INHIBITORS | VERTEX PHARMA (US) | 2005-06-01 | — | — | EP | disclosed |
| US-6426413-B1 | SUCH AS (N-BENZYLOXYCARBONYL-HYDRAZINO)-ACETIC ACID TERT-BUTYL ESTER; FOR PREVENTING AND TREATING INTERLEUKIN-MEDIATED DISEASES, APOPTOSIS, AUTOIMMUNE DISEASES, BONE DISORDERS, PROLIFERATIVE DISORDERS, INFECTIONS, AND DEGENERATIVE DISEASES | VERTEX PHARMACEUTICALS INCORPORATED | 2002-07-30 | — | — | US | disclosed |