Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 1/20 | 0.43 |
| ▸ | EPHX1 | P07099 | 1/20 | 0.39 |
| ▸ | NAAA | Q02083 | 2/20 | 0.35 |
| ▸ | SHBG | P04278 | 1/20 | 0.35 |
| ▸ | HTT | P42858 | 1/20 | 0.34 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.33 |
| ▸ | ACHE | P22303 | 1/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.32 |
| ▸ | CA1 | P00915 | 2/20 | 0.32 |
| ▸ | CA2 | P00918 | 2/20 | 0.32 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.32 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.32 |
| ▸ | CA12 | O43570 | 1/20 | 0.31 |
| ▸ | CA9 | Q16790 | 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 | |
|---|---|---|---|---|
| SCHEMBL19018658 | 0.97 | NPC1 (0.44) | NPC1EPHX1NAAASHBGHTT | |
| SCHEMBL60435 | 0.97 | — | — | |
| SCHEMBL996780 | 0.97 | NPC1 (0.44) | NPC1EPHX1NAAASHBGHTT | |
| SCHEMBL9129037 | 0.97 | NPC1 (0.44) | NPC1EPHX1NAAASHBGHTT | |
| SCHEMBL5150085 | 0.97 | NPC1 (0.44) | NPC1EPHX1NAAASHBGHTT | |
| SCHEMBL566591 | 0.97 | NPC1 (0.44) | NPC1EPHX1NAAASHBGHTT | |
| Ammonia Solution, Strong SCHEMBL8076640 | 0.94 | NPC1 (0.43) | NPC1EPHX1NAAASHBGHTT | |
| Ammonia Solution, Strong SCHEMBL8076859 | 0.94 | NPC1 (0.43) | NPC1EPHX1NAAASHBGHTT | |
| Ammonia Solution, Strong SCHEMBL8078526 | 0.94 | NPC1 (0.43) | NPC1EPHX1NAAASHBGHTT | |
| SCHEMBL27265427 | 0.94 | NPC1 (0.43) | NPC1EPHX1NAAASHBGHTT |
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-2678317-A1 | BENZAMIDE DERIVATIVES AS P2X7 RECEPTOR ANTAGONISTS | Actelion Pharmaceuticals Ltd. (CH) | 2014-01-01 | — | — | EP | disclosed |
| WO-2012114268-A1 | BENZAMIDE DERIVATIVES AS P2X7 RECEPTOR ANTAGONISTS | ACTELION PHARMACEUTICALS LTD (CH) | 2012-08-30 | — | — | WO | disclosed |