Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 2/20 | 0.37 |
| ▸ | RAB9A | P51151 | 2/20 | 0.37 |
| ▸ | RXRA | P19793 | 7/20 | 0.34 |
| ▸ | GRIN1 | Q05586 | 7/20 | 0.34 |
| ▸ | GRIN2B | Q13224 | 7/20 | 0.34 |
| ▸ | MBOAT4 | Q96T53 | 1/20 | 0.34 |
| ▸ | HSD11B1 | P28845 | 2/20 | 0.33 |
| ▸ | GRM5 | P41594 | 2/20 | 0.33 |
| ▸ | GABRA5 | P31644 | 1/20 | 0.33 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.33 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.33 |
| ▸ | CNR2 | P34972 | 1/20 | 0.32 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.32 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.32 |
| ▸ | MCHR1 | Q99705 | 2/20 | 0.32 |
| ▸ | ADORA2A | P29274 | 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 | |
|---|---|---|---|---|
| SCHEMBL22732065 | 0.82 | MBOAT4 (0.34) | RXRAGRIN1GRIN2BMBOAT4HSD11B1 | |
| SCHEMBL22731794 | 0.74 | HDAC1 (0.32) | — | |
| SCHEMBL22731851 | 0.72 | FFAR4 (0.35) | — | |
| SCHEMBL12141756 | 0.71 | PIK3CD (0.40) | MBOAT4GRM5GABRA5CNR2ADORA2A | |
| SCHEMBL22717489 | 0.70 | ALDH1A1 (0.43) | NPC1RAB9AGABRA5CYP2C19SMN1; SMN2 | |
| SCHEMBL22732081 | 0.68 | MEN1 (0.34) | MBOAT4HSD11B1SMN1; SMN2 | |
| SCHEMBL4383074 | 0.68 | IDO1 (0.48) | MBOAT4GABRA5CNR2ADORA2A | |
| SCHEMBL20373268 | 0.67 | MBOAT4 (0.36) | RXRAGRIN1GRIN2BMBOAT4GRM5 | |
| SCHEMBL22732132 | 0.67 | MEN1 (0.41) | NPC1RAB9ARXRAHSD11B1SMN1; SMN2 | |
| SCHEMBL22731795 | 0.67 | PTGS1 (0.50) | HSD11B1SMN1; SMN2PTGS1PTGS2 |
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 |