Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPSR1 | Q6W5P4 | 4/20 | 0.56 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.56 |
| ▸ | GAA | P10253 | 2/20 | 0.56 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.56 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.56 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.56 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.56 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.56 |
| ▸ | HTT | P42858 | 1/20 | 0.56 |
| ▸ | LMNA | P02545 | 1/20 | 0.56 |
| ▸ | PSMB5 | P28074 | 3/20 | 0.52 |
| ▸ | PSMB1 | P20618 | 1/20 | 0.52 |
| ▸ | MEN1 | O00255 | 2/20 | 0.52 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.52 |
| ▸ | MAPT | P10636 | 1/20 | 0.52 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.52 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.50 |
| ▸ | PDE4A | P27815 | 1/20 | 0.50 |
| ▸ | PDE4B | Q07343 | 1/20 | 0.50 |
| ▸ | PDE4C | Q08493 | 1/20 | 0.50 |
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 | |
|---|---|---|---|---|
| SCHEMBL30719634 | 0.79 | NPSR1 (0.79) | NPSR1ALDH1A1GAAKDM4ECYP1A2 | |
| SCHEMBL9231347 | 0.79 | NPSR1 (0.79) | NPSR1ALDH1A1GAAKDM4ECYP1A2 | |
| SCHEMBL4720111 | 0.77 | NPSR1 (0.52) | NPSR1ALDH1A1GAAKDM4ECYP1A2 | |
| SCHEMBL4719382 | 0.77 | MAPT (0.67) | NPSR1ALDH1A1GAAKDM4ECYP1A2 | |
| SCHEMBL4722433 | 0.77 | NPSR1 (0.64) | NPSR1ALDH1A1GAAKDM4ECYP1A2 | |
| SCHEMBL22721546 | 0.74 | NPSR1 (0.57) | NPSR1ALDH1A1GAAKDM4ECYP1A2 | |
| SCHEMBL29539373 | 0.74 | NPSR1 (0.57) | NPSR1ALDH1A1GAAKDM4ECYP1A2 | |
| SCHEMBL4722275 | 0.74 | RAB9A (0.54) | NPSR1ALDH1A1GAAKDM4ECYP1A2 | |
| SCHEMBL22721778 | 0.73 | ALOX5 (0.58) | NPSR1ALDH1A1GAAKDM4ECYP1A2 | |
| SCHEMBL29539637 | 0.73 | ALOX5 (0.58) | NPSR1ALDH1A1GAAKDM4ECYP1A2 |
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 |
|---|---|---|---|---|---|---|---|
| EP-1953147-A1 | HETEROCYCLIC COMPOUND AND MEDICINAL APPLICATION THEREOF | Japan Tobacco, Inc. (JP) | 2008-08-06 | — | — | EP | disclosed |