Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAOA | P21397 | 4/20 | 0.39 |
| ▸ | HRH4 | Q9H3N8 | 1/20 | 0.36 |
| ▸ | HTR6 | P50406 | 5/20 | 0.36 |
| ▸ | HTR1A | P08908 | 5/20 | 0.36 |
| ▸ | HTR7 | P34969 | 5/20 | 0.36 |
| ▸ | TTR | P02766 | 1/20 | 0.36 |
| ▸ | BRD4 | O60885 | 1/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.35 |
| ▸ | BRD2 | P25440 | 1/20 | 0.35 |
| ▸ | BRD3 | Q15059 | 1/20 | 0.35 |
| ▸ | HTR2A | P28223 | 2/20 | 0.35 |
| ▸ | HTR3E | A5X5Y0 | 1/20 | 0.35 |
| ▸ | HTR3B | O95264 | 1/20 | 0.35 |
| ▸ | TP53 | P04637 | 1/20 | 0.35 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.35 |
| ▸ | ADRB1 | P08588 | 1/20 | 0.35 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.35 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.35 |
| ▸ | THRB | P10828 | 1/20 | 0.35 |
| ▸ | CYP2C9 | P11712 | 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 | |
|---|---|---|---|---|
| SCHEMBL19642697 | 0.89 | HTR6 (0.40) | MAOAHRH4HTR6HTR1AHTR7 | |
| SCHEMBL29547500 | 0.89 | HTR6 (0.40) | MAOAHRH4HTR6HTR1AHTR7 | |
| SCHEMBL19642323 | 0.84 | MAOA (0.43) | MAOAHTR6HTR1AHTR7TTR | |
| SCHEMBL29547740 | 0.83 | MAOA (0.42) | MAOAHTR6HTR1AHTR7TTR | |
| SCHEMBL19642268 | 0.83 | MAOA (0.42) | MAOAHTR6HTR1AHTR7TTR | |
| SCHEMBL19662132 | 0.83 | MAOA (0.42) | MAOAHTR6HTR1AHTR7TTR | |
| SCHEMBL19642388 | 0.82 | CYP1A1 (0.43) | MAOAALDH1A1CYP1A2 | |
| SCHEMBL19642400 | 0.81 | HTR6 (0.49) | MAOAHRH4HTR6HTR1AHTR7 | |
| SCHEMBL29547484 | 0.80 | USP2 (0.38) | MAOAHTR6HTR1AHTR7TTR | |
| SCHEMBL19642638 | 0.80 | USP2 (0.38) | MAOAHTR6HTR1AHTR7TTR |
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 |
|---|---|---|---|---|---|---|---|
| WO-2017202798-A1 | XANTHONE DERIVATIVES FOR THE TREATMENT AND PROPHYLAXIS OF HEPATITIS B VIRUS DISEASE | F. HOFFMANN-LA ROCHE AG (CH) | 2017-11-30 | — | — | WO | disclosed |