Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.50 |
| ▸ | GPR55 | Q9Y2T6 | 1/20 | 0.50 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.46 |
| ▸ | GAA | P10253 | 1/20 | 0.46 |
| ▸ | MAPT | P10636 | 1/20 | 0.46 |
| ▸ | HTT | P42858 | 1/20 | 0.46 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.46 |
| ▸ | CYP2D6 | P10635 | 5/20 | 0.45 |
| ▸ | CYP3A4 | P08684 | 5/20 | 0.45 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.45 |
| ▸ | USP2 | O75604 | 1/20 | 0.45 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.45 |
| ▸ | OPRM1 | P35372 | 9/20 | 0.43 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.43 |
| ▸ | CHRM4 | P08173 | 1/20 | 0.43 |
| ▸ | CHRM5 | P08912 | 1/20 | 0.43 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.43 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.43 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.43 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL30713650 | 0.84 | ALDH1A1 (0.48) | NPSR1GPR55ALDH1A1GAAMAPT | |
| SCHEMBL30713504 | 0.83 | NPSR1 (0.47) | NPSR1GPR55ALDH1A1GAAMAPT | |
| SCHEMBL1221665 | 0.81 | NPSR1 (0.54) | NPSR1GPR55ALDH1A1MAPTCYP2D6 | |
| SCHEMBL30713599 | 0.80 | NPSR1 (0.44) | NPSR1GPR55ALDH1A1CYP2D6CYP3A4 | |
| SCHEMBL5236409 | 0.78 | NPSR1 (0.42) | NPSR1GPR55ALDH1A1GAAMAPT | |
| SCHEMBL30713577 | 0.78 | CYP3A4 (0.48) | NPSR1GPR55ALDH1A1MAPTHTT | |
| SCHEMBL9359047 | 0.78 | NPSR1 (0.48) | NPSR1GPR55ALDH1A1GAAMAPT | |
| Hydrochloric Acid SCHEMBL31740601 | 0.77 | NPSR1 (0.50) | NPSR1GPR55ALDH1A1MAPTCYP2D6 | |
| SCHEMBL10047375 | 0.76 | NPSR1 (0.61) | NPSR1GPR55CYP2D6CYP3A4CYP2C9 | |
| SCHEMBL4840944 | 0.76 | CYP3A4 (0.46) | NPSR1GPR55ALDH1A1GAAMAPT |
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-5556861-A | 1,8 benzonaphthyridine derivatives and antimicrobial compositions | LABORATOIRE ROGER BELLON (FR) | 1996-09-17 | — | — | US | disclosed |