Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 1/20 | 0.55 |
| ▸ | MAPT | P10636 | 1/20 | 0.55 |
| ▸ | RAB9A | P51151 | 1/20 | 0.55 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.55 |
| ▸ | BCHE | P06276 | 14/20 | 0.54 |
| ▸ | ACHE | P22303 | 11/20 | 0.53 |
| ▸ | MAOA | P21397 | 1/20 | 0.51 |
| ▸ | MAOB | P27338 | 1/20 | 0.51 |
| ▸ | ABCG2 | Q9UNQ0 | 1/20 | 0.51 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.48 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.48 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.48 |
| ▸ | RELA | Q04206 | 1/20 | 0.48 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.47 |
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 | |
|---|---|---|---|---|
| SCHEMBL8146147 | 0.96 | BCHE (0.52) | NPC1MAPTRAB9AKMT2ABCHE | |
| SCHEMBL8154284 | 0.94 | BCHE (0.53) | NPC1MAPTRAB9AKMT2ABCHE | |
| SCHEMBL8160069 | 0.93 | MAPT (0.52) | NPC1MAPTRAB9AKMT2ABCHE | |
| SCHEMBL8159068 | 0.92 | BCHE (0.48) | NPC1MAPTRAB9AKMT2ABCHE | |
| SCHEMBL8159448 | 0.89 | BCHE (0.47) | NPC1MAPTRAB9AKMT2ABCHE | |
| SCHEMBL8152035 | 0.88 | BCHE (0.47) | NPC1MAPTRAB9AKMT2ABCHE | |
| SCHEMBL8146385 | 0.87 | MAPT (0.62) | NPC1MAPTRAB9AKMT2ABCHE | |
| SCHEMBL8160027 | 0.85 | NPC1 (0.46) | NPC1MAPTRAB9AKMT2ABCHE | |
| SCHEMBL8154302 | 0.82 | BCHE (0.48) | NPC1MAPTRAB9AKMT2ABCHE | |
| SCHEMBL8159019 | 0.80 | MAPT (0.54) | NPC1MAPTRAB9AKMT2ABCHE |
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-0996432-A2 | BIOLOGICALLY ACTIVE 1,3-BIS-AROMATIC-PROP-2-EN-1-ONES, 1,3-BIS-AROMATIC-PROPAN-1-ONES, AND 1,3-BIS-AROMATIC-PROP-2-YN-1-ONES | STATENS SERUMINSTITUT (DK) | 2000-05-03 | — | — | EP | claimed |
| WO-1999000114-A2 | BIOLOGICALLY ACTIVE 1,3-BIS-AROMATIC-PROP-2-EN-1-ONES, 1,3-BIS-AROMATIC-PROPAN-1-ONES, AND 1,3-BIS-AROMATIC-PROP-2-YN-1-ONES | STATENS SERUM INSTITUT (DK) | 1999-01-07 | — | — | WO | claimed |