Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTGS2 | P35354 | 5/20 | 0.44 |
| ▸ | PTGS1 | P23219 | 4/20 | 0.44 |
| ▸ | GABRA5 | P31644 | 1/20 | 0.40 |
| ▸ | MAPT | P10636 | 4/20 | 0.39 |
| ▸ | NPSR1 | Q6W5P4 | 3/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.37 |
| ▸ | HTT | P42858 | 2/20 | 0.36 |
| ▸ | MT-CO2 | P00403 | 2/20 | 0.36 |
| ▸ | ADORA3 | P0DMS8 | 2/20 | 0.36 |
| ▸ | ADORA1 | P30542 | 2/20 | 0.36 |
| ▸ | USP2 | O75604 | 1/20 | 0.36 |
| ▸ | TSHR | P16473 | 1/20 | 0.36 |
| ▸ | XBP1 | P17861 | 1/20 | 0.36 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.36 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.36 |
| ▸ | CA12 | O43570 | 1/20 | 0.36 |
| ▸ | CA1 | P00915 | 1/20 | 0.36 |
| ▸ | CA2 | P00918 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL7448319 | 0.92 | PTGS2 (0.44) | PTGS2PTGS1GABRA5MAPTNPSR1 | |
| SCHEMBL7450164 | 0.89 | PTGS2 (0.46) | PTGS2PTGS1MAPTNPSR1KMT2A | |
| SCHEMBL7455285 | 0.88 | PTGS1 (0.48) | PTGS2PTGS1MAPTNPSR1KMT2A | |
| SCHEMBL7456757 | 0.87 | PTGS2 (0.50) | PTGS2PTGS1MAPTNPSR1KMT2A | |
| SCHEMBL7449804 | 0.86 | PTGS2 (0.44) | PTGS2PTGS1MAPTKMT2AALDH1A1 | |
| SCHEMBL7458524 | 0.85 | PTGS1 (0.41) | PTGS2PTGS1GABRA5MAPTNPSR1 | |
| SCHEMBL7451498 | 0.85 | PTGS2 (0.41) | PTGS2PTGS1GABRA5MAPTNPSR1 | |
| SCHEMBL7450436 | 0.85 | PTGS2 (0.41) | PTGS2PTGS1GABRA5MAPTNPSR1 | |
| SCHEMBL7458144 | 0.85 | PTGS2 (0.41) | PTGS2PTGS1MAPTNPSR1KMT2A | |
| SCHEMBL7450672 | 0.85 | PTGS2 (0.41) | PTGS2PTGS1MAPTNPSR1KMT2A |
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 |