Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PYGL | P06737 | 3/20 | 0.48 |
| ▸ | NR1H4 | Q96RI1 | 1/20 | 0.40 |
| ▸ | NISCH | Q9Y2I1 | 1/20 | 0.39 |
| ▸ | CHRNB4 | P30926 | 1/20 | 0.38 |
| ▸ | CHRNA3 | P32297 | 1/20 | 0.38 |
| ▸ | CYP2C9 | P11712 | 4/20 | 0.38 |
| ▸ | MAPT | P10636 | 2/20 | 0.36 |
| ▸ | GABRA1 | P14867 | 1/20 | 0.36 |
| ▸ | GABRG2 | P18507 | 1/20 | 0.36 |
| ▸ | GABRB3 | P28472 | 1/20 | 0.36 |
| ▸ | MAPKAPK2 | P49137 | 1/20 | 0.36 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.35 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.35 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.35 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.35 |
| ▸ | HPGD | P15428 | 1/20 | 0.35 |
| ▸ | TSHR | P16473 | 1/20 | 0.35 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.35 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL3221936 | 0.81 | CHRNB4 (0.51) | CHRNB4CHRNA3MAPTTDP1CYP1A2 | |
| Ammonia Solution, Strong SCHEMBL5129561 | 0.81 | CHRNB4 (0.51) | CHRNB4CHRNA3MAPTTDP1CYP1A2 | |
| SCHEMBL5015649 | 0.77 | CHRNB4 (0.54) | CHRNB4CHRNA3CYP2C9MAPTKCNH2 | |
| SCHEMBL14702502 | 0.77 | NLRP3 (0.44) | NISCHCHRNB4CHRNA3MAPTTDP1 | |
| SCHEMBL15855895 | 0.77 | MAPT (0.51) | CHRNB4CHRNA3MAPTTDP1ALDH1A1 | |
| Ammonia Solution, Strong SCHEMBL5126795 | 0.76 | CHRNB4 (0.53) | CHRNB4CHRNA3CYP2C9MAPTKCNH2 | |
| SCHEMBL6621992 | 0.75 | KDM4E (0.42) | CHRNB4CHRNA3MAPTMAPKAPK2TDP1 | |
| Hydrochloric Acid SCHEMBL5130415 | 0.75 | MAPT (0.50) | CHRNB4CHRNA3MAPTTDP1ALDH1A1 | |
| Hydrochloric Acid SCHEMBL5015691 | 0.75 | MAPT (0.50) | CHRNB4CHRNA3MAPTTDP1ALDH1A1 | |
| SCHEMBL3089912 | 0.75 | TDP1 (0.40) | NISCHCHRNB4CHRNA3CYP2C9MAPT |
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-8772307-B2 | Substituted spiro compounds and their use for producing pain-relief medicaments | GRUENENTHAL GMBH (DE) | 2014-07-08 | — | — | US | disclosed |