Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MRGPRX4 | Q96LA9 | 7/20 | 0.49 |
| ▸ | RXRA | P19793 | 2/20 | 0.49 |
| ▸ | RXRB | P28702 | 2/20 | 0.49 |
| ▸ | RXRG | P48443 | 2/20 | 0.49 |
| ▸ | CTSS | P25774 | 1/20 | 0.44 |
| ▸ | MAPT | P10636 | 1/20 | 0.43 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.43 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.43 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.43 |
| ▸ | AR | P10275 | 1/20 | 0.43 |
| ▸ | HTR2C | P28335 | 1/20 | 0.43 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.43 |
| ▸ | HTR2B | P41595 | 1/20 | 0.43 |
| ▸ | KDM1A | O60341 | 2/20 | 0.43 |
| ▸ | MAPK14 | Q16539 | 1/20 | 0.42 |
| ▸ | NPC1 | O15118 | 1/20 | 0.42 |
| ▸ | PTGER1 | P34995 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL18893896 | 1.00 | MRGPRX4 (0.49) | MRGPRX4RXRARXRBRXRGCTSS | |
| SCHEMBL20756090 | 0.90 | RXRA (0.54) | MRGPRX4RXRARXRBRXRGCTSS | |
| SCHEMBL2970971 | 0.88 | MRGPRX4 (0.45) | MRGPRX4RXRARXRBRXRGCTSS | |
| SCHEMBL2970281 | 0.82 | PTGES (0.55) | MRGPRX4RXRARXRBRXRGMAPT | |
| SCHEMBL27594898 | 0.81 | MRGPRX4 (0.50) | MRGPRX4RXRARXRBRXRGCTSS | |
| SCHEMBL6628330 | 0.79 | RXRA (0.71) | MRGPRX4RXRARXRBRXRGMAPT | |
| SCHEMBL20639243 | 0.78 | MRGPRX4 (0.45) | MRGPRX4RXRARXRBRXRGMAPT | |
| SCHEMBL3726426 | 0.78 | PTGER1 (0.54) | MRGPRX4RXRARXRBRXRGSLC6A4 | |
| SCHEMBL14453588 | 0.78 | MRGPRX4 (0.50) | MRGPRX4RXRARXRBRXRGCTSS | |
| SCHEMBL5388117 | 0.78 | RXRA (0.60) | MRGPRX4RXRARXRBRXRGCTSS |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-4322954-A1 | SMALL MOLECULE INHIBITORS OF KRAS G12D MUTANT | Merck Sharp & Dohme LLC (US) | 2024-02-21 | — | — | EP | disclosed |
| WO-2022221739-A1 | SMALL MOLECULE INHIBITORS OF KRAS G12D MUTANT | MERCK SHARP & DOHME CORP. (US) | 2022-10-20 | — | — | WO | disclosed |