Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CHRNB2 | P17787 | 2/20 | 0.37 |
| ▸ | CHRNA4 | P43681 | 2/20 | 0.37 |
| ▸ | HTR2C | P28335 | 2/20 | 0.36 |
| ▸ | RECQL | P46063 | 1/20 | 0.36 |
| ▸ | DDB1 | Q16531 | 1/20 | 0.33 |
| ▸ | CRBN | Q96SW2 | 1/20 | 0.33 |
| ▸ | SLC18A3 | Q16572 | 1/20 | 0.33 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.33 |
| ▸ | MKNK1 | Q9BUB5 | 1/20 | 0.33 |
| ▸ | MKNK2 | Q9HBH9 | 1/20 | 0.33 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.33 |
| ▸ | OPRL1 | P41146 | 1/20 | 0.33 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.32 |
| ▸ | MAPK11 | Q15759 | 2/20 | 0.31 |
| ▸ | MAPK14 | Q16539 | 2/20 | 0.31 |
| ▸ | MAPK13 | O15264 | 1/20 | 0.31 |
| ▸ | RAF1 | P04049 | 1/20 | 0.31 |
| ▸ | MAPK9 | P45984 | 1/20 | 0.31 |
| ▸ | MAPK12 | P53778 | 1/20 | 0.31 |
| ▸ | TP53 | P04637 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL23868536 | 0.80 | PLG (0.41) | CHRNB2CHRNA4HTR2CRECQLDDB1 | |
| Hydrochloric Acid SCHEMBL27806813 | 0.79 | CHRNB2 (0.58) | CHRNB2CHRNA4CHRNA7CYP1A2CYP2C19 | |
| SCHEMBL373584 | 0.72 | SLC18A3 (0.61) | HTR2CSLC18A3SIGMAR1MKNK1MKNK2 | |
| Hydrochloric Acid SCHEMBL27942946 | 0.71 | SLC18A3 (0.59) | HTR2CSLC18A3SIGMAR1MKNK1MKNK2 | |
| SCHEMBL1189629 | 0.69 | HTR3A (0.60) | HTR2CSLC18A3SIGMAR1MKNK1MKNK2 | |
| SCHEMBL5042762 | 0.69 | HTR3A (0.60) | HTR2CSLC18A3SIGMAR1MKNK1MKNK2 | |
| SCHEMBL12533704 | 0.69 | CYP1A2 (0.43) | RECQLDDB1CRBNOPRM1OPRL1 | |
| SCHEMBL1515255 | 0.69 | — | — | |
| SCHEMBL12533707 | 0.69 | CYP1A2 (0.43) | RECQLDDB1CRBNOPRM1OPRL1 | |
| SCHEMBL12533711 | 0.69 | CYP1A2 (0.43) | RECQLDDB1CRBNOPRM1OPRL1 |
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 |