Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NNMT | P40261 | 3/20 | 0.41 |
| ▸ | KDR | P35968 | 7/20 | 0.36 |
| ▸ | ROCK1 | Q13464 | 5/20 | 0.36 |
| ▸ | PRKX | P51817 | 2/20 | 0.36 |
| ▸ | TBK1 | Q9UHD2 | 2/20 | 0.36 |
| ▸ | CHEK1 | O14757 | 1/20 | 0.36 |
| ▸ | AURKA | O14965 | 1/20 | 0.36 |
| ▸ | DAPK3 | O43293 | 1/20 | 0.36 |
| ▸ | JAK2 | O60674 | 1/20 | 0.36 |
| ▸ | PRKD3 | O94806 | 1/20 | 0.36 |
| ▸ | MAP4K4 | O95819 | 1/20 | 0.36 |
| ▸ | PAK4 | O96013 | 1/20 | 0.36 |
| ▸ | ABL1 | P00519 | 1/20 | 0.36 |
| ▸ | LCK | P06239 | 1/20 | 0.36 |
| ▸ | RET | P07949 | 1/20 | 0.36 |
| ▸ | MET | P08581 | 1/20 | 0.36 |
| ▸ | PDGFRB | P09619 | 1/20 | 0.36 |
| ▸ | PIM1 | P11309 | 1/20 | 0.36 |
| ▸ | FGFR1 | P11362 | 1/20 | 0.36 |
| ▸ | PDGFRA | P16234 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL25794816 | 0.79 | NNMT (0.40) | NNMTKDRROCK1PRKXTBK1 | |
| SCHEMBL25794817 | 0.75 | NNMT (0.43) | NNMTKDRROCK1PRKXTBK1 | |
| SCHEMBL25794826 | 0.72 | NNMT (0.35) | NNMTKDRROCK1PRKXTBK1 | |
| SCHEMBL25794815 | 0.72 | NNMT (0.45) | NNMTNOS3NOS1NOS2F12 | |
| SCHEMBL25795081 | 0.72 | NNMT (0.45) | NNMTNOS3NOS1NOS2F12 | |
| SCHEMBL25794814 | 0.72 | NNMT (0.45) | NNMTNOS3NOS1NOS2F12 | |
| SCHEMBL25794997 | 0.71 | NNMT (0.39) | NNMTKDRROCK1PRKXTBK1 | |
| SCHEMBL25794819 | 0.71 | NNMT (0.39) | NNMT | |
| SCHEMBL13138806 | 0.71 | PARP1 (0.42) | NNMTKDRROCK1PRKXTBK1 | |
| SCHEMBL30159408 | 0.67 | KDR (0.50) | NNMTKDRROCK1PRKXTBK1 |
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-2023129513-A2 | BICYCLIC HETEROAROMATIC INHIBITORS OF NICOTINAMIDE N-METHYLTRANSFERASE, AND COMPOSITIONS AND USES THEREOF | PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) | 2023-07-06 | — | — | WO | disclosed |