Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTR2A | P28223 | 6/20 | 0.38 |
| ▸ | TAAR1 | Q96RJ0 | 2/20 | 0.38 |
| ▸ | NPC1 | O15118 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.36 |
| ▸ | GAA | P10253 | 1/20 | 0.36 |
| ▸ | MAPT | P10636 | 1/20 | 0.36 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.36 |
| ▸ | RAB9A | P51151 | 1/20 | 0.36 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.36 |
| ▸ | GABRA1 | P14867 | 1/20 | 0.36 |
| ▸ | GABRB2 | P47870 | 1/20 | 0.36 |
| ▸ | HTR1A | P08908 | 1/20 | 0.35 |
| ▸ | HTR2C | P28335 | 1/20 | 0.35 |
| ▸ | HTR2B | P41595 | 1/20 | 0.35 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.35 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.35 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.35 |
| ▸ | TSHR | P16473 | 1/20 | 0.35 |
| ▸ | NFKB1 | P19838 | 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 | |
|---|---|---|---|---|
| SCHEMBL1578005 | 0.82 | DPP4 (0.44) | NPC1ALDH1A1GAAMAPTALOX12 | |
| SCHEMBL23704452 | 0.79 | RAB9A (0.37) | NPC1ALDH1A1GAAMAPTALOX12 | |
| SCHEMBL188678 | 0.79 | GRM5 (0.38) | NPC1ALDH1A1GAAMAPTALOX12 | |
| SCHEMBL2067797 | 0.77 | POLB (0.36) | NPC1ALDH1A1GAAMAPTALOX12 | |
| SCHEMBL23704445 | 0.77 | ALDH1A1 (0.36) | NPC1ALDH1A1GAAMAPTALOX12 | |
| SCHEMBL21494328 | 0.75 | GABRA1 (0.35) | HTR2ATAAR1NPC1ALDH1A1GAA | |
| SCHEMBL4168644 | 0.74 | DPP4 (0.41) | NPC1ALDH1A1GAAMAPTALOX12 | |
| SCHEMBL2067825 | 0.73 | DPP4 (0.34) | NPC1ALDH1A1GAAMAPTALOX12 | |
| SCHEMBL21598750 | 0.73 | ERN1 (0.39) | NPC1ALDH1A1GAAMAPTALOX12 | |
| SCHEMBL4172345 | 0.73 | ALDH1A1 (0.35) | NPC1ALDH1A1GAAMAPTALOX12 |
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-1517895-A1 | 8-(BIARYL) QUINOLINE PDE4 INHIBITORS | MERCK FROSST CANADA INC. (CA) | 2005-03-30 | — | — | EP | disclosed |
| WO-2004000814-A1 | 8-(BIARYL) QUINOLINE PDE4 INHIBITORS | MERCK FROSST CANADA & CO. (CA) | 2003-12-31 | — | — | WO | disclosed |