Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTR6 | P50406 | 5/20 | 0.40 |
| ▸ | HTR3A | P46098 | 4/20 | 0.39 |
| ▸ | HTR1A | P08908 | 3/20 | 0.39 |
| ▸ | HTR7 | P34969 | 3/20 | 0.39 |
| ▸ | HTR3E | A5X5Y0 | 3/20 | 0.39 |
| ▸ | HTR3B | O95264 | 3/20 | 0.39 |
| ▸ | HTR3D | Q70Z44 | 3/20 | 0.39 |
| ▸ | HTR3C | Q8WXA8 | 3/20 | 0.39 |
| ▸ | SIGMAR1 | Q99720 | 3/20 | 0.39 |
| ▸ | HTR2C | P28335 | 2/20 | 0.39 |
| ▸ | HTR2A | P28223 | 2/20 | 0.39 |
| ▸ | HTR2B | P41595 | 2/20 | 0.39 |
| ▸ | ADRB1 | P08588 | 2/20 | 0.39 |
| ▸ | TP53 | P04637 | 1/20 | 0.39 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.39 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.39 |
| ▸ | THRB | P10828 | 1/20 | 0.39 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.39 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.39 |
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 | 1.00 | HTR6 (0.40) | HTR6HTR3AHTR1AHTR7HTR3E | |
| SCHEMBL19642323 | 0.90 | MAOA (0.43) | HTR6HTR1AHTR7MAOAALDH1A1 | |
| SCHEMBL19662320 | 0.89 | MAOA (0.39) | HTR6HTR3AHTR1AHTR7HTR3E | |
| SCHEMBL29547740 | 0.89 | MAOA (0.42) | HTR6HTR1AHTR7MAOAALDH1A1 | |
| SCHEMBL19662132 | 0.89 | MAOA (0.42) | HTR6HTR1AHTR7MAOAALDH1A1 | |
| SCHEMBL19642268 | 0.89 | MAOA (0.42) | HTR6HTR1AHTR7MAOAALDH1A1 | |
| SCHEMBL19642388 | 0.83 | CYP1A1 (0.43) | CYP1A2MAOAALDH1A1 | |
| SCHEMBL19642400 | 0.82 | HTR6 (0.49) | HTR6HTR1AHTR7CYP1A2HRH4 | |
| SCHEMBL19642402 | 0.80 | TTR (0.39) | TP53CYP1A2CYP3A4CYP2C9CYP2C19 | |
| SCHEMBL29547484 | 0.80 | USP2 (0.38) | HTR6HTR1AHTR7TP53CYP1A2 |
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 |
|---|---|---|---|---|---|---|---|
| CN-109311860-B | Xanthone derivatives for the treatment or prevention of hepatitis B virus diseases | 豪夫迈·罗氏有限公司 | 2022-04-08 | — | — | CN | claimed |
| CN-109311860-B | Xanthone derivatives for the treatment or prevention of hepatitis B virus diseases | 豪夫迈·罗氏有限公司 | 2022-04-08 | — | — | CN | disclosed |