Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | RECQL | P46063 | 1/20 | 0.39 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.38 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.38 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.37 |
| ▸ | JAK2 | O60674 | 2/20 | 0.34 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.34 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.34 |
| ▸ | HPGD | P15428 | 1/20 | 0.33 |
| ▸ | GPR6 | P46095 | 4/20 | 0.33 |
| ▸ | IDH1 | O75874 | 1/20 | 0.33 |
| ▸ | ROCK2 | O75116 | 1/20 | 0.32 |
| ▸ | HTR1A | P08908 | 3/20 | 0.32 |
| ▸ | HTR7 | P34969 | 3/20 | 0.32 |
| ▸ | DRD2 | P14416 | 2/20 | 0.32 |
| ▸ | HTR6 | P50406 | 2/20 | 0.32 |
| ▸ | ADRA1D | P25100 | 1/20 | 0.32 |
| ▸ | HTR2A | P28223 | 1/20 | 0.32 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.32 |
| ▸ | ADRA1B | P35368 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL15173416 | 0.77 | ALDH1A1 (0.43) | KDM4EHPGDROCK2 | |
| SCHEMBL24869039 | 0.76 | RECQL (0.44) | RECQLHTR2AADRA1A | |
| SCHEMBL24869050 | 0.74 | RECQL (0.46) | RECQLADRA1A | |
| SCHEMBL26268414 | 0.73 | SMN1; SMN2 (0.42) | PTGS1PTGS2EPHX2KDM4EHSP90AA1 | |
| SCHEMBL29526795 | 0.73 | KDM4E (0.46) | KDM4EHPGDROCK2 | |
| SCHEMBL14993992 | 0.73 | HPGD (0.36) | EPHX2JAK2KDM4EHPGDROCK2 | |
| SCHEMBL10175327 | 0.73 | KDM4E (0.46) | KDM4EHPGDROCK2 | |
| SCHEMBL20355409 | 0.72 | MCHR1 (0.36) | JAK2KDM4EHPGDROCK2ADRA1A | |
| SCHEMBL20355077 | 0.72 | MCHR1 (0.33) | PTGS1PTGS2KDM4EHSP90AA1HPGD | |
| SCHEMBL23946259 | 0.70 | DDB1 (0.34) | JAK2KDM4EHPGDROCK2ADRA1A |
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-2023279986-A1 | SIX-MEMBERED ARYL OR HETEROARYL AMIDES, AND COMPOSITION AND USE THEREOF | 贝达药业股份有限公司 | 2023-01-12 | — | — | WO | disclosed |