Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NT5E | P21589 | 2/20 | 0.36 |
| ▸ | ADORA2A | P29274 | 6/20 | 0.35 |
| ▸ | ADORA1 | P30542 | 5/20 | 0.35 |
| ▸ | ADORA3 | P0DMS8 | 4/20 | 0.35 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.33 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.33 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.33 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.33 |
| ▸ | NAMPT | P43490 | 1/20 | 0.32 |
| ▸ | HRH3 | Q9Y5N1 | 3/20 | 0.32 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.32 |
| ▸ | KDM1A | O60341 | 1/20 | 0.32 |
| ▸ | DRD2 | P14416 | 1/20 | 0.31 |
| ▸ | HTR2A | P28223 | 1/20 | 0.31 |
| ▸ | HTR2C | P28335 | 1/20 | 0.31 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.31 |
| ▸ | CHKA | P35790 | 2/20 | 0.30 |
| ▸ | PRMT5 | O14744 | 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 | |
|---|---|---|---|---|
| SCHEMBL25047669 | 0.84 | CHKA (0.33) | CHKA | |
| SCHEMBL25048135 | 0.82 | — | — | |
| SCHEMBL25047592 | 0.81 | NT5E (0.41) | NT5EADORA2AKDM1APRMT5 | |
| Hydrochloric Acid SCHEMBL30941286 | 0.80 | NT5E (0.41) | NT5EADORA2AKDM1APRMT5 | |
| SCHEMBL25048625 | 0.79 | — | — | |
| SCHEMBL25049274 | 0.78 | CHKA (0.35) | NT5EHRH3CHKAPRMT5 | |
| SCHEMBL30941470 | 0.77 | NT5E (0.34) | NT5EADORA2AADORA1ADORA3CYP1A2 | |
| SCHEMBL25048345 | 0.74 | CHKA (0.35) | NT5EADORA2AADORA1ADORA3CHKA | |
| SCHEMBL25048059 | 0.74 | CHKA (0.32) | NT5ECHKA | |
| SCHEMBL25048385 | 0.74 | ROCK2 (0.39) | NT5ECYP3A4CYP2D6HRH3DRD2 |
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-2023017152-A1 | SPECIFIC SMALL MOLECULE INHIBITORS THAT BLOCK KMT9 METHYLTRANSFERASE ACTIVITY AND FUNCTION | ALBERT-LUDWIGS-UNIVERSITÄT FREIBURG (DE) | 2023-02-16 | — | — | WO | disclosed |