Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTR1B | P28222 | 1/20 | 0.45 |
| ▸ | MAPT | P10636 | 5/20 | 0.42 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.42 |
| ▸ | GAA | P10253 | 1/20 | 0.42 |
| ▸ | HPGD | P15428 | 3/20 | 0.41 |
| ▸ | TSHR | P16473 | 3/20 | 0.41 |
| ▸ | NPC1 | O15118 | 2/20 | 0.41 |
| ▸ | RAB9A | P51151 | 1/20 | 0.41 |
| ▸ | L3MBTL1 | Q9Y468 | 3/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.41 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.41 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.41 |
| ▸ | ALOX15 | P16050 | 2/20 | 0.41 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.41 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.41 |
| ▸ | HTR1A | P08908 | 2/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.40 |
| ▸ | MAPK1 | P28482 | 3/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.40 |
| ▸ | MEN1 | O00255 | 2/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL30394884 | 1.00 | HTR1B (0.45) | HTR1BMAPTKDM4EGAAHPGD | |
| SCHEMBL19897937 | 0.92 | HTR1B (0.43) | HTR1BMAPTKDM4EGAAHPGD | |
| SCHEMBL30394068 | 0.92 | HTR1B (0.43) | HTR1BMAPTKDM4EGAAHPGD | |
| SCHEMBL30668196 | 0.85 | HTR1B (0.46) | HTR1BMAPTKDM4EGAAHPGD | |
| SCHEMBL28960000 | 0.85 | HTR1B (0.46) | HTR1BMAPTKDM4EGAAHPGD | |
| SCHEMBL22807537 | 0.84 | MAPT (0.39) | HTR1BMAPTKDM4EGAAHPGD | |
| SCHEMBL10681054 | 0.84 | HTR1B (0.45) | HTR1BMAPTKDM4EGAAHPGD | |
| SCHEMBL30786889 | 0.83 | HTR1B (0.47) | HTR1BMAPTKDM4EGAAHPGD | |
| SCHEMBL30786892 | 0.83 | HTR1B (0.47) | HTR1BMAPTKDM4EGAAHPGD | |
| SCHEMBL30395792 | 0.83 | HTR1B (0.45) | HTR1BMAPTKDM4EGAAHPGD |
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-109863146-B | Biaryl compounds as immunomodulators | 百时美施贵宝公司 | 2023-02-28 | — | — | CN | disclosed |
| CN-111788193-A | PD-1/PD-L1 small molecule inhibitor and application thereof in medicines | 广东东阳光药业有限公司 | 2020-10-16 | — | — | CN | disclosed |