Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | EPHX1 | P07099 | 6/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.39 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.39 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.39 |
| ▸ | HRH4 | Q9H3N8 | 2/20 | 0.35 |
| ▸ | HRH3 | Q9Y5N1 | 2/20 | 0.35 |
| ▸ | PAOX | Q6QHF9 | 2/20 | 0.33 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.33 |
| ▸ | HSP90AB1 | P08238 | 1/20 | 0.33 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.32 |
| ▸ | ADRB2 | P07550 | 1/20 | 0.32 |
| ▸ | ALDH1A2 | O94788 | 1/20 | 0.31 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.31 |
| ▸ | ALDH2 | P05091 | 1/20 | 0.31 |
| ▸ | ALDH1A3 | P47895 | 1/20 | 0.31 |
| ▸ | HTR1B | P28222 | 1/20 | 0.31 |
| ▸ | NR2E1 | Q9Y466 | 1/20 | 0.31 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.31 |
| ▸ | ZDHHC20 | Q5W0Z9 | 1/20 | 0.31 |
| ▸ | ZDHHC2 | Q9UIJ5 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL23841894 | 1.00 | EPHX1 (0.41) | EPHX1KDM4EMAPK1HIF1AHRH4 | |
| SCHEMBL27112936 | 0.93 | EPHX1 (0.34) | EPHX1KDM4EMAPK1HIF1AHRH4 | |
| SCHEMBL24103200 | 0.83 | KDM4E (0.52) | EPHX1KDM4EMAPK1HIF1APAOX | |
| SCHEMBL22861675 | 0.81 | EPHX1 (0.36) | EPHX1KDM4EMAPK1HIF1AHRH4 | |
| SCHEMBL22861662 | 0.81 | EPHX1 (0.36) | EPHX1KDM4EMAPK1HIF1AHRH4 | |
| SCHEMBL23945439 | 0.81 | EPHX1 (0.36) | EPHX1KDM4EMAPK1HIF1AHRH4 | |
| SCHEMBL23945626 | 0.81 | EPHX1 (0.36) | EPHX1KDM4EMAPK1HIF1AHRH4 | |
| SCHEMBL25664913 | 0.79 | EPHX1 (0.39) | EPHX1KDM4EMAPK1HIF1AHRH4 | |
| SCHEMBL23451084 | 0.78 | KDM4E (0.39) | EPHX1KDM4EMAPK1HIF1APAOX | |
| SCHEMBL24982532 | 0.78 | HRH4 (0.35) | KDM4EMAPK1HIF1AHRH4HRH3 |
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-2023081759-A1 | BIFUNCTIONAL PI3K-ALPHA INHIBITORS AND USES THEREOF | RELAY THERAPEUTICS, INC. (US) | 2023-05-11 | — | — | WO | disclosed |