Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NNMT | P40261 | 1/20 | 0.35 |
| ▸ | KDR | P35968 | 4/20 | 0.35 |
| ▸ | UHRF1 | Q96T88 | 1/20 | 0.33 |
| ▸ | NOS3 | P29474 | 4/20 | 0.33 |
| ▸ | NOS2 | P35228 | 4/20 | 0.33 |
| ▸ | NOS1 | P29475 | 2/20 | 0.33 |
| ▸ | PLK1 | P53350 | 1/20 | 0.32 |
| ▸ | ROCK1 | Q13464 | 3/20 | 0.32 |
| ▸ | ROCK2 | O75116 | 1/20 | 0.32 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.32 |
| ▸ | F12 | P00748 | 1/20 | 0.31 |
| ▸ | PLAU | P00749 | 1/20 | 0.31 |
| ▸ | NCF1 | P14598 | 1/20 | 0.31 |
| ▸ | BACE1 | P56817 | 1/20 | 0.31 |
| ▸ | CHEK1 | O14757 | 1/20 | 0.31 |
| ▸ | AURKA | O14965 | 1/20 | 0.31 |
| ▸ | DAPK3 | O43293 | 1/20 | 0.31 |
| ▸ | JAK2 | O60674 | 1/20 | 0.31 |
| ▸ | PRKD3 | O94806 | 1/20 | 0.31 |
| ▸ | MAP4K4 | O95819 | 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 | |
|---|---|---|---|---|
| SCHEMBL25794827 | 0.76 | NNMT (0.36) | NNMTNOS3NOS2ROCK1ROCK2 | |
| SCHEMBL25794812 | 0.72 | NNMT (0.41) | NNMTKDRNOS3NOS2NOS1 | |
| SCHEMBL13138806 | 0.63 | PARP1 (0.42) | NNMTKDRNOS3NOS2NOS1 | |
| SCHEMBL795352 | 0.63 | NNMT (0.44) | NNMTKDRUHRF1NOS3NOS2 | |
| SCHEMBL12883412 | 0.61 | UHRF1 (0.40) | NNMTUHRF1 | |
| SCHEMBL12481059 | 0.61 | KDR (0.45) | NNMTKDRUHRF1NOS3NOS2 | |
| SCHEMBL18370310 | 0.60 | NNMT (0.38) | NNMTUHRF1 | |
| SCHEMBL17024310 | 0.60 | ALDH1A1 (0.44) | NOS3NOS2NOS1F12PLAU | |
| SCHEMBL18369546 | 0.60 | NNMT (0.39) | NNMTUHRF1 | |
| SCHEMBL24493090 | 0.60 | NOS2 (0.48) | NOS3NOS2NOS1ROCK1ROCK2 |
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 |