Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CSNK2A1 | P68400 | 1/20 | 0.42 |
| ▸ | MAOA | P21397 | 4/20 | 0.38 |
| ▸ | MAOB | P27338 | 1/20 | 0.38 |
| ▸ | THRA | P10827 | 1/20 | 0.37 |
| ▸ | THRB | P10828 | 1/20 | 0.37 |
| ▸ | BACE1 | P56817 | 2/20 | 0.36 |
| ▸ | CYP2A6 | P11509 | 2/20 | 0.36 |
| ▸ | APP | P05067 | 1/20 | 0.36 |
| ▸ | MAPT | P10636 | 1/20 | 0.36 |
| ▸ | NR4A2 | P43354 | 3/20 | 0.35 |
| ▸ | AHR | P35869 | 2/20 | 0.35 |
| ▸ | CMA1 | P23946 | 1/20 | 0.35 |
| ▸ | F7 | P08709 | 1/20 | 0.35 |
| ▸ | LTA4H | P09960 | 1/20 | 0.35 |
| ▸ | F3 | P13726 | 1/20 | 0.35 |
| ▸ | TYR | P14679 | 1/20 | 0.35 |
| ▸ | USP2 | O75604 | 1/20 | 0.35 |
| ▸ | GAA | P10253 | 1/20 | 0.35 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.35 |
| ▸ | RAD51 | Q06609 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| Ethoxycarbonyl Group SCHEMBL28038347 | 0.89 | CYP2A6 (0.39) | MAOABACE1CYP2A6APPMAPT | |
| Ethoxycarbonyl Group SCHEMBL27648730 | 0.89 | CSNK2A1 (0.46) | CSNK2A1MAOAMAOBTHRATHRB | |
| Ethoxycarbonyl Group SCHEMBL27552359 | 0.85 | CSNK2A1 (0.43) | CSNK2A1MAOATHRATHRBCYP2A6 | |
| Ethoxycarbonyl Group SCHEMBL27768538 | 0.85 | TSHR (0.37) | MAOATHRATHRBBACE1CYP2A6 | |
| Ethoxycarbonyl Group SCHEMBL27768294 | 0.84 | MAPT (0.40) | CSNK2A1MAOABACE1CYP2A6APP | |
| Ethoxycarbonyl Group SCHEMBL27942879 | 0.84 | GPR84 (0.46) | CSNK2A1MAOAMAOBTHRATHRB | |
| SCHEMBL8649003 | 0.81 | CSNK2A1 (0.60) | CSNK2A1MAOAMAOBCYP2A6NR4A2 | |
| Ethoxycarbonyl Group SCHEMBL27550867 | 0.79 | AHR (0.62) | MAOACYP2A6NR4A2AHRCMA1 | |
| Ethoxycarbonyl Group SCHEMBL27597884 | 0.79 | GAA (0.62) | MAOAMAOBTHRATHRBBACE1 | |
| Ethoxycarbonyl Group SCHEMBL27613736 | 0.79 | AHR (0.62) | MAOAMAOBTHRATHRBCYP2A6 |
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 |
|---|---|---|---|---|---|---|---|
| CN-101611027-A | Indol-2-yl-piperazin-1-yl-methanone derivatives | HOFFMANN LA ROCHE (CH) | 2009-12-23 | — | — | CN | disclosed |