Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTR6 | P50406 | 5/20 | 0.39 |
| ▸ | HTR2A | P28223 | 1/20 | 0.37 |
| ▸ | KHK | P50053 | 1/20 | 0.32 |
| ▸ | ALK | Q9UM73 | 1/20 | 0.31 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.31 |
| ▸ | MEN1 | O00255 | 2/20 | 0.31 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.31 |
| ▸ | HTR1D | P28221 | 2/20 | 0.31 |
| ▸ | HTR2C | P28335 | 2/20 | 0.31 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.31 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.31 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.31 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.31 |
| ▸ | MAPT | P10636 | 1/20 | 0.31 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.31 |
| ▸ | BRCA1 | P38398 | 1/20 | 0.31 |
| ▸ | QDPR | P09417 | 1/20 | 0.31 |
| ▸ | TGFBR1 | P36897 | 1/20 | 0.30 |
| ▸ | ACVR1 | Q04771 | 1/20 | 0.30 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL30640822 | 0.84 | HTR6 (0.43) | HTR6HTR2AALKKDM4EMEN1 | |
| SCHEMBL17304107 | 0.84 | HTR6 (0.43) | HTR6HTR2AALKKDM4EMEN1 | |
| SCHEMBL19174976 | 0.83 | HTR6 (0.43) | HTR6HTR2AALKKDM4EMEN1 | |
| SCHEMBL17304117 | 0.81 | BRD4 (0.41) | HTR6HTR2AALKKDM4EMEN1 | |
| SCHEMBL31017571 | 0.80 | HTR6 (0.41) | HTR6HTR2AKHKALKKDM4E | |
| SCHEMBL19556801 | 0.80 | HTR6 (0.41) | HTR6HTR2AKHKALKKDM4E | |
| SCHEMBL19557720 | 0.77 | HTR6 (0.39) | HTR6HTR2AKHKALKKDM4E | |
| SCHEMBL17879591 | 0.77 | HTR6 (0.39) | HTR6HTR2AALKKDM4EMEN1 | |
| SCHEMBL17304102 | 0.76 | HTR6 (0.43) | HTR6HTR2AHTR2C | |
| SCHEMBL5821677 | 0.73 | HTR6 (0.43) | HTR6HTR2AMEN1ALDH1A1HTR2C |
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 |
|---|---|---|---|---|---|---|---|
| EP-3150592-B1 | ALK KINASE INHIBITOR, AND PREPARATION METHOD AND USE THEREOF | SHANGHAI EMERALD WELLCARES PHARMACEUTICAL CO LTD (CN) | 2023-08-30 | — | — | EP | disclosed |