Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAOB | P27338 | 8/20 | 0.78 |
| ▸ | MAOA | P21397 | 5/20 | 0.78 |
| ▸ | KRAS | P01116 | 2/20 | 0.73 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.68 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.68 |
| ▸ | CYP1B1 | Q16678 | 2/20 | 0.63 |
| ▸ | CYP1A1 | P04798 | 1/20 | 0.63 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.63 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.63 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.62 |
| ▸ | MAPT | P10636 | 2/20 | 0.62 |
| ▸ | LMNA | P02545 | 1/20 | 0.62 |
| ▸ | NPC1 | O15118 | 1/20 | 0.60 |
| ▸ | RAB9A | P51151 | 1/20 | 0.60 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.60 |
| ▸ | ABCG2 | Q9UNQ0 | 1/20 | 0.58 |
| ▸ | BCHE | P06276 | 1/20 | 0.58 |
| ▸ | HSPD1 | P10809 | 1/20 | 0.56 |
| ▸ | HSPE1 | P61604 | 1/20 | 0.56 |
| ▸ | F3 | P13726 | 1/20 | 0.56 |
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 | |
|---|---|---|---|---|
| SCHEMBL7194081 | 1.00 | MAOB (0.78) | MAOBMAOAKRASPTGS1PTGS2 | |
| SCHEMBL7194437 | 1.00 | MAOB (0.78) | MAOBMAOAKRASPTGS1PTGS2 | |
| SCHEMBL14318106 | 0.89 | MAOB (0.78) | MAOBMAOAKRASPTGS1PTGS2 | |
| SCHEMBL31326032 | 0.88 | MAOB (1.00) | MAOBMAOAKRASCYP1B1ALDH1A1 | |
| SCHEMBL10658787 | 0.88 | MAOB (1.00) | MAOBMAOAKRASCYP1B1ALDH1A1 | |
| SCHEMBL14435873 | 0.88 | MAOB (1.00) | MAOBMAOAKRASCYP1B1ALDH1A1 | |
| SCHEMBL10658782 | 0.88 | MAOB (1.00) | MAOBMAOAKRASCYP1B1ALDH1A1 | |
| SCHEMBL15807359 | 0.82 | MAOB (0.71) | MAOBMAOAKRASPTGS1PTGS2 | |
| SCHEMBL9112457 | 0.81 | MAPT (0.75) | MAOBKRASPTGS1PTGS2CYP1B1 | |
| SCHEMBL9112460 | 0.81 | MAPT (0.75) | MAOBKRASPTGS1PTGS2CYP1B1 |
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 | disclosed |
| 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 | disclosed |