Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTGS2 | P35354 | 1/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.41 |
| ▸ | HTR1A | P08908 | 1/20 | 0.36 |
| ▸ | SLC18A3 | Q16572 | 1/20 | 0.36 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.36 |
| ▸ | NPC1 | O15118 | 1/20 | 0.35 |
| ▸ | CHRNB2 | P17787 | 1/20 | 0.35 |
| ▸ | CHRNB4 | P30926 | 1/20 | 0.35 |
| ▸ | CHRNA3 | P32297 | 1/20 | 0.35 |
| ▸ | CHRNA7 | P36544 | 1/20 | 0.35 |
| ▸ | CHRNA4 | P43681 | 1/20 | 0.35 |
| ▸ | GAA | P10253 | 1/20 | 0.35 |
| ▸ | ABCB1 | P08183 | 1/20 | 0.34 |
| ▸ | GBA1 | P04062 | 1/20 | 0.34 |
| ▸ | LMNA | P02545 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL11133602 | 0.80 | PTGS2 (0.41) | PTGS2ALDH1A1CYP2A6 | |
| SCHEMBL10984203 | 0.80 | PTGS2 (0.41) | PTGS2ALDH1A1CYP2A6 | |
| SCHEMBL10408580 | 0.80 | PTGS2 (0.41) | PTGS2ALDH1A1CYP2A6 | |
| SCHEMBL10408581 | 0.80 | PTGS2 (0.41) | PTGS2ALDH1A1CYP2A6 | |
| SCHEMBL10554073 | 0.80 | PTGS2 (0.41) | PTGS2ALDH1A1CYP2A6 | |
| SCHEMBL9617683 | 0.80 | PTGS2 (0.41) | PTGS2ALDH1A1CYP2A6 | |
| SCHEMBL10558242 | 0.78 | GAA (0.50) | PTGS2GAAGBA1 | |
| SCHEMBL10552843 | 0.78 | PTGS2 (0.42) | PTGS2ALDH1A1SLC18A3CYP2A6 | |
| SCHEMBL10555865 | 0.78 | PTGS2 (0.42) | PTGS2ALDH1A1SLC18A3CYP2A6 | |
| SCHEMBL10531795 | 0.78 | DRD2 (0.45) | PTGS2GBA1 |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-1181059-C | Quinoline-4-base deviative I | - | 2004-12-22 | — | — | CN | disclosed |
| EP-1088818-B1 | Quinolin-4-yl derivatives | HOFFMANN LA ROCHE (CH) | 2004-11-03 | — | — | EP | disclosed |
| US-6440995-B1 | NMDA-RECEPTOR SUBTYPE SELECTIVE BLOCKERS | HOFFMAN-LA ROCHE INC. | 2002-08-27 | — | — | US | disclosed |
| CN-1290698-A | Quinoline-4-base deviative I | HOFFMANN LA ROCHE (CH) | 2001-04-11 | — | — | CN | disclosed |
| EP-1088818-A1 | Quinolin-4-yl derivatives | F. HOFFMANN-LA ROCHE AG (CH) | 2001-04-04 | — | — | EP | disclosed |