Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | EPHX2 | P34913 | 1/20 | 0.46 |
| ▸ | NOTUM | Q6P988 | 1/20 | 0.45 |
| ▸ | CES2 | O00748 | 2/20 | 0.42 |
| ▸ | CES1 | P23141 | 2/20 | 0.42 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.41 |
| ▸ | TSHR | P16473 | 1/20 | 0.41 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.41 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.41 |
| ▸ | PKM | P14618 | 1/20 | 0.40 |
| ▸ | EPAS1 | Q99814 | 1/20 | 0.40 |
| ▸ | LMNA | P02545 | 1/20 | 0.40 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.40 |
| ▸ | HTT | P42858 | 1/20 | 0.40 |
| ▸ | RAB9A | P51151 | 1/20 | 0.40 |
| ▸ | SCN8A | Q9UQD0 | 2/20 | 0.39 |
| ▸ | SCN10A | Q9Y5Y9 | 2/20 | 0.39 |
| ▸ | GCK | P35557 | 1/20 | 0.39 |
| ▸ | MEN1 | O00255 | 1/20 | 0.39 |
| ▸ | MAPT | P10636 | 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 | |
|---|---|---|---|---|
| SCHEMBL17186832 | 1.00 | EPHX2 (0.46) | EPHX2NOTUMCES2CES1L3MBTL1 | |
| SCHEMBL23519087 | 0.86 | NOTUM (0.48) | NOTUMLMNAMAPK1HTTRAB9A | |
| SCHEMBL1417730 | 0.82 | KDM4E (0.49) | EPHX2L3MBTL1KDM4ELMNAMAPK1 | |
| SCHEMBL23519094 | 0.82 | PPARA (0.51) | EPHX2NOTUMTDP1SCN8ASCN10A | |
| SCHEMBL23519099 | 0.82 | NOTUM (0.43) | NOTUMCES2CES1HTTSCN8A | |
| SCHEMBL23519089 | 0.81 | CXCL8 (0.46) | EPHX2NOTUMCES2CES1L3MBTL1 | |
| SCHEMBL19227915 | 0.78 | TRPA1 (0.42) | EPHX2L3MBTL1KDM4ETSHRNPSR1 | |
| SCHEMBL12566385 | 0.78 | EPHX2 (0.53) | EPHX2EPAS1SCN8ASCN10A | |
| SCHEMBL23518992 | 0.77 | EPHX2 (0.54) | EPHX2NOTUMSCN8ASCN10A | |
| SCHEMBL2658481 | 0.77 | RIPK1 (0.45) | PKMLMNAMAPK1HTTRAB9A |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-114761412-B | Substituted macrocyclic compounds and related methods of treatment | 阿尔克姆斯有限公司 | 2024-10-11 | — | — | CN | disclosed |
| EP-4065585-A1 | SUBSTITUTED MACROCYCLIC COMPOUNDS AND RELATED METHODS OF TREATMENT | Alkermes, Inc. (US) | 2022-10-05 | — | — | EP | disclosed |
| CN-114761412-A | Substituted macrocyclic compounds and related methods of treatment | 阿尔克姆斯有限公司 | 2022-07-15 | — | — | CN | disclosed |