Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA12 | O43570 | 3/20 | 0.51 |
| ▸ | CA1 | P00915 | 3/20 | 0.51 |
| ▸ | CA2 | P00918 | 3/20 | 0.51 |
| ▸ | CA9 | Q16790 | 3/20 | 0.51 |
| ▸ | CHRNA7 | P36544 | 7/20 | 0.43 |
| ▸ | HTR3E | A5X5Y0 | 4/20 | 0.42 |
| ▸ | HTR3B | O95264 | 4/20 | 0.42 |
| ▸ | HTR3A | P46098 | 4/20 | 0.42 |
| ▸ | HTR3D | Q70Z44 | 4/20 | 0.42 |
| ▸ | HTR3C | Q8WXA8 | 4/20 | 0.42 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.42 |
| ▸ | TSHR | P16473 | 1/20 | 0.42 |
| ▸ | CHRM2 | P08172 | 2/20 | 0.40 |
| ▸ | CHRM1 | P11229 | 2/20 | 0.40 |
| ▸ | CHRM3 | P20309 | 2/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL2902377 | 1.00 | CA12 (0.51) | CA12CA1CA2CA9CHRNA7 | |
| Iodide SCHEMBL4006800 | 0.98 | CA12 (0.50) | CA12CA1CA2CA9CHRNA7 | |
| Iodide SCHEMBL4001434 | 0.98 | CA12 (0.50) | CA12CA1CA2CA9CHRNA7 | |
| SCHEMBL2745668 | 0.81 | CA12 (0.55) | CA12CA1CA2CA9CHRNA7 | |
| SCHEMBL10165806 | 0.81 | CA12 (0.55) | CA12CA1CA2CA9CHRNA7 | |
| SCHEMBL10165807 | 0.81 | CA12 (0.55) | CA12CA1CA2CA9CHRNA7 | |
| Hydrochloric Acid SCHEMBL2745487 | 0.79 | CA12 (0.53) | CA12CA1CA2CA9CHRNA7 | |
| Hydrochloric Acid SCHEMBL2745607 | 0.79 | CA12 (0.53) | CA12CA1CA2CA9CHRNA7 | |
| Hydrochloric Acid SCHEMBL2745182 | 0.79 | CA12 (0.53) | CA12CA1CA2CA9CHRNA7 | |
| SCHEMBL10166061 | 0.77 | CA12 (0.55) | CA12CA1CA2CA9CHRNA7 |
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-1874761-B1 | 4H-1,2,4-TRIAZIN-5-ONE DERIVATIVES, THEIR PREPARATION AND THEIR USE AS ALPHA 7 NICOTINIC ACETYLCHOLINE RECEPTORS | AVENTIS PHARMA SA (FR) | 2010-08-18 | — | — | EP | disclosed |
| EP-1874761-A2 | 4H-1,2,4-TRIAZIN-5-ONE DERIVATIVES, THEIR PREPARATION AND THEIR USE AS ALPHA 7 NICOTINIC ACETYLCHOLINE RECEPTORS | Aventis Pharma S.A. (FR) | 2008-01-09 | — | — | EP | disclosed |
| WO-2006111662-A2 | 4H-1,2,4-TRIAZIN-5-ONE DERIVATIVES, THEIR PREPARATION AND THEIR USE AS ALPHA 7 NICOTINIC ACETYLCHOLINE RECEPTORS | AVENTIS PHARMA S.A. (FR) | 2006-10-26 | — | — | WO | disclosed |