Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 4/20 | 0.41 |
| ▸ | CYP2A6 | P11509 | 3/20 | 0.41 |
| ▸ | PTGES | O14684 | 4/20 | 0.40 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.36 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.36 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.36 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.36 |
| ▸ | IDO1 | P14902 | 1/20 | 0.34 |
| ▸ | TDO2 | P48775 | 1/20 | 0.34 |
| ▸ | AHR | P35869 | 1/20 | 0.33 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.33 |
| ▸ | NR4A2 | P43354 | 1/20 | 0.33 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.32 |
| ▸ | GAA | P10253 | 1/20 | 0.32 |
| ▸ | PDPK1 | O15530 | 1/20 | 0.32 |
| ▸ | HKDC1 | Q2TB90 | 1/20 | 0.31 |
| ▸ | PDE7A | Q13946 | 1/20 | 0.31 |
| ▸ | JAK2 | O60674 | 1/20 | 0.30 |
| ▸ | CCNB2 | O95067 | 1/20 | 0.30 |
| ▸ | CCNE2 | O96020 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL23191346 | 0.83 | CCNE2 (0.37) | CYP1A2PTGESCYP3A4CYP2D6CYP2C9 | |
| SCHEMBL19584482 | 0.76 | HPGD (0.45) | CYP1A2CDK2MEN1KMT2A | |
| SCHEMBL28672181 | 0.76 | CYP1A2 (0.41) | CYP1A2CYP2A6PTGESCYP3A4CYP2D6 | |
| SCHEMBL24738570 | 0.73 | AHR (0.39) | PTGESAHRMEN1KMT2A | |
| SCHEMBL25242361 | 0.71 | CYP1A2 (0.35) | CYP1A2CYP2A6PTGESMEN1KMT2A | |
| SCHEMBL6690250 | 0.70 | CYP1A2 (0.40) | CYP1A2PTGESCYP3A4CYP2D6CYP2C9 | |
| SCHEMBL29650355 | 0.69 | CYP1A2 (0.54) | CYP1A2CYP2A6PTGESAHRNR4A2 | |
| SCHEMBL29936794 | 0.69 | CYP1A2 (0.54) | CYP1A2CYP2A6PTGESTAAR1NR4A2 | |
| SCHEMBL28658521 | 0.69 | CYP1A2 (0.54) | CYP1A2CYP2A6PTGESAHRNR4A2 | |
| SCHEMBL24738630 | 0.69 | AHR (0.39) | AHRMEN1KMT2A |
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 |