Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAPK1 | P28482 | 1/20 | 0.47 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.47 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.39 |
| ▸ | SLC6A1 | P30531 | 2/20 | 0.38 |
| ▸ | SLC6A11 | P48066 | 1/20 | 0.38 |
| ▸ | TSHR | P16473 | 1/20 | 0.38 |
| ▸ | LMNA | P02545 | 1/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.38 |
| ▸ | SLC6A13 | Q9NSD5 | 1/20 | 0.38 |
| ▸ | IRAK4 | Q9NWZ3 | 6/20 | 0.37 |
| ▸ | CHEK1 | O14757 | 4/20 | 0.36 |
| ▸ | CDK2AP1 | O14519 | 2/20 | 0.36 |
| ▸ | SLC2A1 | P11166 | 1/20 | 0.36 |
| ▸ | HRH4 | Q9H3N8 | 1/20 | 0.35 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.35 |
| ▸ | BTK | Q06187 | 1/20 | 0.35 |
| ▸ | PBK | Q96KB5 | 1/20 | 0.35 |
| ▸ | KDM1A | O60341 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL965984 | 0.89 | MAPK1 (0.55) | MAPK1OPRK1SLC6A1SLC6A11TSHR | |
| SCHEMBL27714012 | 0.89 | MAPK1 (0.55) | MAPK1OPRK1SLC6A1SLC6A11TSHR | |
| Hydrochloric Acid SCHEMBL17560443 | 0.88 | MAPK1 (0.54) | MAPK1OPRK1SLC6A1SLC6A11TSHR | |
| Hydrochloric Acid SCHEMBL2899466 | 0.88 | MAPK1 (0.54) | MAPK1OPRK1SLC6A1SLC6A11TSHR | |
| Hydrochloric Acid SCHEMBL17560419 | 0.88 | MAPK1 (0.54) | MAPK1OPRK1SLC6A1SLC6A11TSHR | |
| Trifluoroacetic Acid SCHEMBL27848480 | 0.87 | BTK (0.51) | MAPK1OPRK1HDAC4SLC6A1SLC6A11 | |
| Trifluoroacetic Acid SCHEMBL23779199 | 0.85 | MAPK1 (0.43) | MAPK1OPRK1HDAC4SLC6A1SLC6A11 | |
| Trifluoroacetic Acid SCHEMBL23779162 | 0.85 | MAPK1 (0.43) | MAPK1OPRK1HDAC4SLC6A1SLC6A11 | |
| Trifluoroacetic Acid SCHEMBL18497314 | 0.84 | TSHR (0.36) | TSHRHRH4HRH3BTK | |
| SCHEMBL5320954 | 0.79 | EPHX1 (0.47) | MAPK1OPRK1SLC6A1SLC6A11TSHR |
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-2023213269-A1 | AMIDE-SUBSTITUTED HETEROCYCLIC COMPOUNDS AS KRAS G12D MODULATORS AND USES THEREOF | ZAI LAB (SHANGHAI) CO., LTD. (CN) | 2023-11-09 | — | — | WO | disclosed |