Predicted protein targets (top 7)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.39 |
| ▸ | CTDSP1 | Q9GZU7 | 1/20 | 0.36 |
| ▸ | GRIN1 | Q05586 | 14/20 | 0.35 |
| ▸ | GRIN2B | Q13224 | 14/20 | 0.35 |
| ▸ | BRD4 | O60885 | 1/20 | 0.33 |
| ▸ | VNN1 | O95497 | 1/20 | 0.33 |
| ▸ | P2RX7 | Q99572 | 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 | |
|---|---|---|---|---|
| SCHEMBL242473 | 0.84 | — | — | |
| SCHEMBL29525303 | 0.84 | — | — | |
| Bromide SCHEMBL20378298 | 0.82 | — | — | |
| Hydrochloric Acid SCHEMBL29636091 | 0.82 | — | — | |
| Hydrochloric Acid SCHEMBL6402404 | 0.82 | — | — | |
| Hydrochloric Acid SCHEMBL7392100 | 0.74 | CTDSP1 (0.38) | CYP1A2CTDSP1GRIN1GRIN2BVNN1 | |
| SCHEMBL3076036 | 0.71 | CYP1A2 (0.47) | CYP1A2CTDSP1GRIN1GRIN2BBRD4 | |
| Symclosene SCHEMBL27163402 | 0.70 | CYP11B1 (0.44) | CYP1A2 | |
| SCHEMBL27269 | 0.69 | — | — | |
| SCHEMBL344825 | 0.68 | — | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0986562-A1 | SUBSTITUTED 1,2,4-TRIAZOLO 3,4-A]PHTHALAZINE DERIVATIVES AS GABA ALPHA 5 LIGANDS | MERCK SHARP & DOHME LTD. (GB) | 2000-03-22 | — | — | EP | disclosed |
| WO-1998050385-A1 | SUBSTITUTED 1,2,4-TRIAZOLO[3,4-a]PHTHALAZINE DERIVATIVES AS GABA ALPHA 5 LIGANDS | MERCK SHARP & DOHME LIMITED (GB) | 1998-11-12 | — | — | WO | disclosed |