Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.35 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.35 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.34 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.34 |
| ▸ | TP53 | P04637 | 1/20 | 0.31 |
| ▸ | POLB | P06746 | 1/20 | 0.31 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.31 |
| ▸ | PARP1 | P09874 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL4930125 | 0.80 | — | — | |
| SCHEMBL533329 | 0.78 | — | — | |
| SCHEMBL213916 | 0.77 | — | — | |
| SCHEMBL4988289 | 0.73 | KMT2A (0.44) | POLB | |
| SCHEMBL4991609 | 0.73 | KMT2A (0.46) | ALDH1A1NPSR1POLB | |
| SCHEMBL2481506 | 0.73 | LMNA (0.39) | ALDH1A1NPSR1CYP1A2CYP2D6TP53 | |
| SCHEMBL17888393 | 0.71 | ALDH1A1 (0.43) | ALDH1A1NPSR1CYP1A2CYP2D6TP53 | |
| SCHEMBL5530212 | 0.70 | TSHR (0.47) | ALDH1A1NPSR1TP53 | |
| SCHEMBL6950370 | 0.69 | ALDH1A1 (0.32) | ALDH1A1NPSR1CYP1A2CYP2D6PARP1 | |
| SCHEMBL7366986 | 0.69 | HRH3 (0.45) | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1235829-A2 | PYRAZOLO 1,5-D] 1,2,4]TRIAZINES FOR ENHANCING COGNITION | MERCK SHARP & DOHME LTD. (GB) | 2002-09-04 | — | — | EP | disclosed |
| US-6355638-B1 | COGNITION ACTIVATORS | MERCK SHARP & DOHME LTD. (GB) | 2002-03-12 | — | — | US | disclosed |
| WO-2001038331-A2 | PYRAZOLO[1,5-D][1,2,4]TRIAZINES FOR ENHANCING COGNITION | MERCK SHARP & DOHME LIMITED (GB) | 2001-05-31 | — | — | WO | disclosed |