Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MMP1 | P03956 | 6/20 | 0.58 |
| ▸ | MMP2 | P08253 | 6/20 | 0.58 |
| ▸ | MMP9 | P14780 | 6/20 | 0.58 |
| ▸ | MAOB | P27338 | 4/20 | 0.58 |
| ▸ | EGFR | P00533 | 2/20 | 0.58 |
| ▸ | MAOA | P21397 | 1/20 | 0.58 |
| ▸ | MAPT | P10636 | 3/20 | 0.54 |
| ▸ | NPC1 | O15118 | 1/20 | 0.54 |
| ▸ | RAB9A | P51151 | 1/20 | 0.54 |
| ▸ | TGM2 | P21980 | 1/20 | 0.53 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.50 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.50 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.50 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.50 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.49 |
| ▸ | GAA | P10253 | 1/20 | 0.49 |
| ▸ | LPAR1 | Q92633 | 1/20 | 0.49 |
| ▸ | LPAR2 | Q9HBW0 | 1/20 | 0.49 |
| ▸ | MEN1 | O00255 | 1/20 | 0.47 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.47 |
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 | |
|---|---|---|---|---|
| SCHEMBL16165932 | 0.86 | MMP1 (0.63) | MMP1MMP2MMP9MAOBEGFR | |
| SCHEMBL6302452 | 0.82 | MMP1 (0.73) | MMP1MMP2MMP9MAOBEGFR | |
| SCHEMBL9840923 | 0.82 | MMP1 (0.73) | MMP1MMP2MMP9MAOBEGFR | |
| SCHEMBL6302448 | 0.82 | MMP1 (0.73) | MMP1MMP2MMP9MAOBEGFR | |
| SCHEMBL10817250 | 0.81 | MMP1 (0.58) | MMP1MMP2MMP9MAOBEGFR | |
| SCHEMBL11599170 | 0.81 | TGM2 (0.57) | MMP1MMP2MMP9MAOBEGFR | |
| SCHEMBL16512642 | 0.80 | MAOB (0.61) | MAOBEGFRMAOAMAPTRAB9A | |
| SCHEMBL8907266 | 0.79 | PSMB11 (0.56) | MMP1MMP2MMP9MAOBEGFR | |
| SCHEMBL9856065 | 0.79 | MMP1 (0.63) | MMP1MMP2MMP9MAOBEGFR | |
| SCHEMBL6295971 | 0.78 | MAOB (0.79) | MMP1MMP2MMP9MAOBEGFR |
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-4329750-A1 | SMALL MOLECULE INHIBITORS OF KRAS G12C MUTANT | Merck Sharp & Dohme LLC (US) | 2024-03-06 | — | — | EP | disclosed |
| WO-2022232320-A1 | SMALL MOLECULE INHIBITORS OF KRAS G12C MUTANT | MERCK SHARP & DOHME CORP. (US) | 2022-11-03 | — | — | WO | disclosed |