Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CNR2 | P34972 | 1/20 | 0.46 |
| ▸ | TSHR | P16473 | 1/20 | 0.46 |
| ▸ | KEAP1 | Q14145 | 1/20 | 0.45 |
| ▸ | ANPEP | P15144 | 2/20 | 0.44 |
| ▸ | ERAP1 | Q9NZ08 | 2/20 | 0.44 |
| ▸ | ERAP2 | Q6P179 | 1/20 | 0.44 |
| ▸ | MME | P08473 | 1/20 | 0.44 |
| ▸ | PPARG | P37231 | 1/20 | 0.44 |
| ▸ | PPARA | Q07869 | 1/20 | 0.44 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.44 |
| ▸ | MEN1 | O00255 | 1/20 | 0.44 |
| ▸ | HTT | P42858 | 1/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.44 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.44 |
| ▸ | HPGD | P15428 | 1/20 | 0.44 |
| ▸ | ACP3 | P15309 | 1/20 | 0.43 |
| ▸ | ACE | P12821 | 1/20 | 0.43 |
| ▸ | GRIK1 | P39086 | 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 | |
|---|---|---|---|---|
| SCHEMBL27289799 | 0.85 | CNR2 (0.46) | CNR2TSHRKEAP1ANPEPERAP1 | |
| SCHEMBL28028705 | 0.81 | TSHR (0.47) | CNR2TSHRMMEMEN1HTT | |
| SCHEMBL6628999 | 0.80 | CNR2 (0.49) | CNR2TSHRKEAP1ANPEPERAP1 | |
| SCHEMBL4063592 | 0.80 | CNR2 (0.49) | CNR2TSHRKEAP1ANPEPERAP1 | |
| SCHEMBL2291948 | 0.77 | MMP8 (0.56) | CNR2TSHRKEAP1ANPEPERAP1 | |
| SCHEMBL1857365 | 0.75 | CYP1A2 (0.61) | KEAP1ANPEPERAP1ERAP2CYP1A2 | |
| SCHEMBL7813917 | 0.74 | CNR2 (0.47) | CNR2TSHRKEAP1ANPEPERAP1 | |
| SCHEMBL360781 | 0.74 | CNR2 (0.50) | CNR2TSHRKEAP1ANPEPERAP1 | |
| Water SCHEMBL4010621 | 0.74 | CYP1A2 (0.59) | CNR2ANPEPERAP1ERAP2CYP1A2 | |
| SCHEMBL233440 | 0.74 | CNR2 (0.50) | CNR2TSHRKEAP1ANPEPERAP1 |
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 |
|---|---|---|---|---|---|---|---|
| CN-102417480-B | As the Spirocyclic nitriles of proteinase inhibitor | Sanofi-Aventis S. P. A. (FR) | 2015-08-26 | — | — | CN | disclosed |