Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PDCD1 | Q15116 | 2/20 | 0.33 |
| ▸ | CD274 | Q9NZQ7 | 2/20 | 0.33 |
| ▸ | HTR2A | P28223 | 1/20 | 0.33 |
| ▸ | HTR2C | P28335 | 1/20 | 0.33 |
| ▸ | HTR2B | P41595 | 1/20 | 0.33 |
| ▸ | PSMD14 | O00487 | 1/20 | 0.32 |
| ▸ | COPS5 | Q92905 | 1/20 | 0.32 |
| ▸ | LMNA | P02545 | 2/20 | 0.32 |
| ▸ | NOS3 | P29474 | 2/20 | 0.32 |
| ▸ | NOS1 | P29475 | 2/20 | 0.32 |
| ▸ | NOS2 | P35228 | 2/20 | 0.32 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.32 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.32 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.32 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.32 |
| ▸ | PNMT | P11086 | 1/20 | 0.32 |
| ▸ | TP53 | P04637 | 1/20 | 0.32 |
| ▸ | HTT | P42858 | 1/20 | 0.32 |
| ▸ | NPC1 | O15118 | 1/20 | 0.31 |
| ▸ | RAB9A | P51151 | 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 | |
|---|---|---|---|---|
| SCHEMBL23979549 | 0.81 | PNMT (0.41) | PDCD1CD274LMNACYP1A2CYP3A4 | |
| SCHEMBL23474009 | 0.77 | NOS3 (0.40) | PSMD14COPS5NOS3NOS1NOS2 | |
| SCHEMBL23979799 | 0.72 | SCN4A (0.36) | PDCD1CD274HTR2AHTR2BLMNA | |
| SCHEMBL27147342 | 0.70 | CYP2D6 (0.45) | PDCD1CD274HTR2AHTR2CHTR2B | |
| SCHEMBL22495173 | 0.70 | CYP2D6 (0.45) | PDCD1CD274HTR2AHTR2CHTR2B | |
| SCHEMBL21071356 | 0.70 | CYP2D6 (0.45) | PDCD1CD274HTR2AHTR2CHTR2B | |
| SCHEMBL30824549 | 0.70 | CYP2D6 (0.45) | PDCD1CD274HTR2AHTR2CHTR2B | |
| Hydrochloric Acid SCHEMBL31482194 | 0.69 | LMNA (0.47) | PDCD1CD274HTR2AHTR2CHTR2B | |
| SCHEMBL10934829 | 0.67 | CYP1A2 (0.42) | PDCD1CD274HTR2AHTR2CLMNA | |
| SCHEMBL6748371 | 0.66 | LMNA (0.54) | LMNANOS3NOS1NOS2CYP3A4 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2022135470-A1 | PREPARATION AND APPLICATION METHOD OF HETEROCYCLIC COMPOUND AS KRAS INHIBITOR | 上海科州药物研发有限公司 | 2022-06-30 | — | — | WO | disclosed |