Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM1A | O60341 | 1/20 | 0.38 |
| ▸ | DGAT1 | O75907 | 2/20 | 0.37 |
| ▸ | KDM5A | P29375 | 1/20 | 0.35 |
| ▸ | KDM4C | Q9H3R0 | 1/20 | 0.35 |
| ▸ | KDM5B | Q9UGL1 | 1/20 | 0.35 |
| ▸ | ESR2 | Q92731 | 7/20 | 0.35 |
| ▸ | ESR1 | P03372 | 4/20 | 0.35 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.35 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.35 |
| ▸ | MRGPRX4 | Q96LA9 | 1/20 | 0.34 |
| ▸ | HTR6 | P50406 | 1/20 | 0.34 |
| ▸ | ENPP2 | Q13822 | 1/20 | 0.34 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.33 |
| ▸ | NPC1 | O15118 | 1/20 | 0.33 |
| ▸ | RAB9A | P51151 | 1/20 | 0.33 |
| ▸ | PDE10A | Q9Y233 | 1/20 | 0.33 |
| ▸ | SPHK1 | Q9NYA1 | 1/20 | 0.33 |
| ▸ | CYP2D6 | P10635 | 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 | |
|---|---|---|---|---|
| SCHEMBL22717603 | 0.82 | MGAM (0.40) | KDM1AKDM5AKDM4CKDM5BESR2 | |
| SCHEMBL22731967 | 0.82 | DGAT1 (0.39) | DGAT1ENPP2NPC1RAB9A | |
| SCHEMBL22731795 | 0.78 | PTGS1 (0.50) | HTR6 | |
| SCHEMBL22732132 | 0.78 | MEN1 (0.41) | NPC1RAB9A | |
| SCHEMBL22717738 | 0.70 | MGAM (0.37) | KDM1ANPC1RAB9A | |
| SCHEMBL9704124 | 0.68 | CYP2C9 (0.47) | DGAT1ESR2CYP2C9NPC1RAB9A | |
| SCHEMBL9704135 | 0.68 | CYP2C9 (0.47) | DGAT1ESR2CYP2C9NPC1RAB9A | |
| SCHEMBL27174564 | 0.66 | ESR2 (0.42) | KDM5AKDM4CKDM5BESR2ESR1 | |
| SCHEMBL10013957 | 0.66 | ESR2 (0.49) | ESR2MRGPRX4HRH3NPC1RAB9A | |
| SCHEMBL22717593 | 0.65 | MEN1 (0.35) | NPC1RAB9A |
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-2020243459-A1 | THIADIAZOLYL DERIVATIVES AS DNA POLYMERASE THETA INHIBITORS | IDEAYA BIOSCIENCES, INC. (US) | 2020-12-03 | — | — | WO | disclosed |