Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CNR2 | P34972 | 3/20 | 0.38 |
| ▸ | CNR1 | P21554 | 2/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.37 |
| ▸ | LMNA | P02545 | 1/20 | 0.37 |
| ▸ | HTT | P42858 | 1/20 | 0.37 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.37 |
| ▸ | APP | P05067 | 6/20 | 0.36 |
| ▸ | PDE2A | O00408 | 1/20 | 0.35 |
| ▸ | MAOB | P27338 | 3/20 | 0.34 |
| ▸ | DHODH | Q02127 | 1/20 | 0.34 |
| ▸ | HRH4 | Q9H3N8 | 1/20 | 0.34 |
| ▸ | CCNE2 | O96020 | 1/20 | 0.34 |
| ▸ | CCNE1 | P24864 | 1/20 | 0.34 |
| ▸ | CDK2 | P24941 | 1/20 | 0.34 |
| ▸ | NPC1 | O15118 | 1/20 | 0.33 |
| ▸ | RAB9A | P51151 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL29343993 | 1.00 | CNR2 (0.38) | CNR2CNR1ALDH1A1LMNAHTT | |
| SCHEMBL29343955 | 0.90 | CNR2 (0.38) | CNR2CNR1ALDH1A1LMNAHTT | |
| SCHEMBL25164958 | 0.86 | PTGES (0.40) | CNR2CNR1MAOBHRH4 | |
| SCHEMBL25337225 | 0.80 | CYP1A2 (0.32) | — | |
| SCHEMBL29343992 | 0.79 | KRAS (0.36) | CNR2CNR1 | |
| SCHEMBL25165363 | 0.77 | PIN1 (0.40) | CNR2CNR1LMNAMAOBCDK2 | |
| SCHEMBL25550180 | 0.76 | SCN9A (0.32) | — | |
| SCHEMBL25336522 | 0.75 | PIN1 (0.39) | CNR2CNR1MAOBHRH4CDK2 | |
| SCHEMBL29937168 | 0.75 | CNR2 (0.40) | CNR2CNR1ALDH1A1LMNAHTT | |
| SCHEMBL25337045 | 0.75 | ADORA2A (0.33) | — |
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 |