Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAOA | P21397 | 8/20 | 0.42 |
| ▸ | TTR | P02766 | 2/20 | 0.38 |
| ▸ | ACE | P12821 | 1/20 | 0.38 |
| ▸ | NPC1 | O15118 | 2/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.37 |
| ▸ | LMNA | P02545 | 1/20 | 0.37 |
| ▸ | RAB9A | P51151 | 1/20 | 0.37 |
| ▸ | EGFR | P00533 | 1/20 | 0.36 |
| ▸ | CA12 | O43570 | 1/20 | 0.36 |
| ▸ | CA1 | P00915 | 1/20 | 0.36 |
| ▸ | CA2 | P00918 | 1/20 | 0.36 |
| ▸ | CA9 | Q16790 | 1/20 | 0.36 |
| ▸ | ATP1A1 | P05023 | 1/20 | 0.35 |
| ▸ | ATP1B1 | P05026 | 1/20 | 0.35 |
| ▸ | ATP1A3 | P13637 | 1/20 | 0.35 |
| ▸ | ATP1B2 | P14415 | 1/20 | 0.35 |
| ▸ | ATP1A2 | P50993 | 1/20 | 0.35 |
| ▸ | ATP1B3 | P54709 | 1/20 | 0.35 |
| ▸ | FXYD2 | P54710 | 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 | |
|---|---|---|---|---|
| SCHEMBL19642407 | 1.00 | MAOA (0.42) | MAOATTRACENPC1KDM4E | |
| SCHEMBL19642367 | 0.87 | TTR (0.53) | MAOATTRACENPC1KDM4E | |
| SCHEMBL19642446 | 0.87 | TTR (0.44) | MAOATTRACENPC1KDM4E | |
| SCHEMBL19642648 | 0.87 | MAOA (0.40) | MAOATTRACENPC1KDM4E | |
| SCHEMBL19642273 | 0.82 | MAOA (0.49) | MAOATTRACENPC1KDM4E | |
| SCHEMBL20317226 | 0.80 | MAOA (0.44) | MAOATTRACENPC1KDM4E | |
| SCHEMBL20317279 | 0.79 | MAOA (0.42) | MAOATTRACENPC1KDM4E | |
| SCHEMBL8815403 | 0.78 | ATP1A1 (0.47) | MAOATTRNPC1KDM4EALDH1A1 | |
| SCHEMBL5782106 | 0.77 | MAOA (0.64) | MAOANPC1KDM4EALDH1A1LMNA | |
| SCHEMBL29547534 | 0.77 | MAOA (0.64) | MAOANPC1KDM4EALDH1A1LMNA |
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-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 |