Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTT | P42858 | 1/20 | 0.63 |
| ▸ | CA1 | P00915 | 3/20 | 0.59 |
| ▸ | CA2 | P00918 | 3/20 | 0.59 |
| ▸ | CA9 | Q16790 | 2/20 | 0.59 |
| ▸ | MAOA | P21397 | 1/20 | 0.58 |
| ▸ | MAOB | P27338 | 1/20 | 0.58 |
| ▸ | NPC1 | O15118 | 4/20 | 0.54 |
| ▸ | RAB9A | P51151 | 4/20 | 0.54 |
| ▸ | GAA | P10253 | 1/20 | 0.54 |
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.54 |
| ▸ | MAPT | P10636 | 5/20 | 0.54 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.54 |
| ▸ | CYP1A2 | P05177 | 5/20 | 0.52 |
| ▸ | CYP3A4 | P08684 | 4/20 | 0.52 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.52 |
| ▸ | HPGD | P15428 | 3/20 | 0.52 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.52 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.52 |
| ▸ | CYP2D6 | P10635 | 3/20 | 0.52 |
| ▸ | MAPK1 | P28482 | 3/20 | 0.52 |
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 | |
|---|---|---|---|---|
| SCHEMBL855757 | 0.92 | CA1 (0.59) | HTTCA1CA2CA9MAOA | |
| SCHEMBL9657157 | 0.90 | HTT (0.53) | HTTCA1CA2CA9MAOA | |
| SCHEMBL9658358 | 0.90 | HTT (0.53) | HTTCA1CA2CA9MAOA | |
| SCHEMBL856237 | 0.90 | CA1 (0.70) | HTTCA1CA2CA9MAOA | |
| SCHEMBL25638764 | 0.87 | APP (0.54) | HTTCA1CA2CA9MAOA | |
| SCHEMBL10105568 | 0.85 | HTT (0.59) | HTTCA1CA2CA9MAOA | |
| SCHEMBL1924100 | 0.83 | HTT (0.78) | HTTCA1CA2CA9GAA | |
| SCHEMBL855759 | 0.83 | ALDH1A1 (0.62) | HTTCA1CA2CA9NPC1 | |
| SCHEMBL855663 | 0.83 | ALDH1A1 (0.64) | HTTCA1CA2CA9MAOA | |
| SCHEMBL855107 | 0.81 | CA1 (0.60) | HTTCA1CA2CA9MAOA |
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 |
|---|---|---|---|---|---|---|---|
| EP-0585500-A1 | Diaryl piperazineacetamides as antimuscarinic agents | MERRELL DOW PHARMACEUTICALS INC. (US) | 1994-03-09 | — | — | EP | disclosed |