Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTGS1 | P23219 | 4/20 | 0.49 |
| ▸ | PTGS2 | P35354 | 3/20 | 0.49 |
| ▸ | MAPT | P10636 | 6/20 | 0.48 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.48 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.48 |
| ▸ | RXFP1 | Q9HBX9 | 2/20 | 0.41 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.41 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.41 |
| ▸ | THRB | P10828 | 1/20 | 0.40 |
| ▸ | TSHR | P16473 | 3/20 | 0.38 |
| ▸ | NPC1 | O15118 | 1/20 | 0.38 |
| ▸ | RAB9A | P51151 | 1/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.38 |
| ▸ | GPBAR1 | Q8TDU6 | 1/20 | 0.38 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.38 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.38 |
| ▸ | BACE1 | P56817 | 1/20 | 0.37 |
| ▸ | TP53 | P04637 | 1/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL7451575 | 0.96 | PTGS1 (0.49) | PTGS1PTGS2MAPTALDH1A1KDM4E | |
| SCHEMBL7449144 | 0.90 | RXFP1 (0.52) | PTGS1PTGS2MAPTRXFP1L3MBTL1 | |
| SCHEMBL7453405 | 0.88 | GABRG2 (0.53) | PTGS1PTGS2MAPTALDH1A1KDM4E | |
| SCHEMBL7448499 | 0.86 | GABRG2 (0.53) | PTGS1PTGS2MAPTALDH1A1KDM4E | |
| SCHEMBL7461317 | 0.85 | PTGS1 (0.43) | PTGS1PTGS2MAPTALDH1A1KDM4E | |
| SCHEMBL7455285 | 0.82 | PTGS1 (0.48) | PTGS1PTGS2MAPTALDH1A1KDM4E | |
| SCHEMBL7453660 | 0.82 | RXFP1 (0.48) | PTGS1PTGS2MAPTRXFP1L3MBTL1 | |
| SCHEMBL7454713 | 0.79 | MAPT (0.62) | PTGS1PTGS2MAPTKDM4ERXFP1 | |
| SCHEMBL7452400 | 0.78 | SMN1; SMN2 (0.64) | PTGS1PTGS2MAPTKDM4ERXFP1 | |
| SCHEMBL7453020 | 0.77 | PTGS1 (0.50) | PTGS1PTGS2MAPTRXFP1NPSR1 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2002081474-A1 | TRIAZOLOPHTHALAZINE / QUINOLINE / ISOQUINOLINE DERIVATIVES WHICH ARE LIGANDS FOR GABA-A RECEPTORS CONTAINING THE ALPHA 5 SUBTYPE | MERCK SHARP & DOHME LIMITED (GB) | 2002-10-17 | — | — | WO | disclosed |