Predicted protein targets (top 6)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.43 |
| ▸ | GAA | P10253 | 1/20 | 0.43 |
| ▸ | MAPT | P10636 | 1/20 | 0.43 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.37 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.33 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL2646767 | 0.93 | GAA (0.39) | ALDH1A1GAAMAPTPTGS1PTGS2 | |
| Hydrazine SCHEMBL2655942 | 0.90 | GAA (0.37) | ALDH1A1GAAMAPTPTGS1PTGS2 | |
| SCHEMBL29417448 | 0.84 | TDP1 (0.44) | ALDH1A1MAPTTDP1 | |
| SCHEMBL249075 | 0.84 | TDP1 (0.44) | ALDH1A1MAPTTDP1 | |
| SCHEMBL10265141 | 0.75 | ALDH1A1 (0.39) | ALDH1A1GAAMAPTTDP1 | |
| Hydrochloric Acid SCHEMBL1205235 | 0.74 | ALDH1A1 (0.38) | ALDH1A1GAAMAPTTDP1 | |
| SCHEMBL12794060 | 0.73 | TDP1 (0.39) | TDP1 | |
| SCHEMBL10839658 | 0.72 | MEN1 (0.39) | ALDH1A1GAATDP1 | |
| SCHEMBL248888 | 0.71 | TDP1 (0.40) | TDP1 | |
| SCHEMBL29899133 | 0.70 | TDP1 (0.43) | ALDH1A1TDP1 |
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 |
|---|---|---|---|---|---|---|---|
| US-6444666-B1 | SUCH AS ALZHEIMER'S DISEASE; SUBSTITUTED 1,2,4-TRIAZOLO(4,3-B) PYRIDAZINE DERIVATIVES ARE LIGANDS FOR GABA RECEPTORS; CONVULSANT ACTIVITY IS REDUCED OR ELIMINATED | MERCK SHARP & DOHME LTD. (GB) | 2002-09-03 | — | — | US | disclosed |