Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CAMK2A | Q9UQM7 | 3/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.38 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.38 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.38 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.38 |
| ▸ | CDC25A | P30304 | 1/20 | 0.35 |
| ▸ | CDC25B | P30305 | 1/20 | 0.35 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.32 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.32 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.32 |
| ▸ | HTT | P42858 | 1/20 | 0.32 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.32 |
| ▸ | TSHR | P16473 | 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 | |
|---|---|---|---|---|
| SCHEMBL9813664 | 0.94 | CAMK2A (0.37) | CAMK2ACYP1A2CYP2D6CYP2C9CYP2C19 | |
| SCHEMBL15058261 | 0.80 | NOS1 (0.37) | CAMK2ACYP1A2CYP2D6CYP2C9CYP2C19 | |
| SCHEMBL15058260 | 0.80 | NOS1 (0.37) | CAMK2ACYP1A2CYP2D6CYP2C9CYP2C19 | |
| SCHEMBL15058973 | 0.75 | NOS1 (0.39) | CAMK2ACYP1A2CYP2D6CYP2C9CYP2C19 | |
| SCHEMBL15058972 | 0.75 | NOS1 (0.39) | CAMK2ACYP1A2CYP2D6CYP2C9CYP2C19 | |
| SCHEMBL19031049 | 0.72 | CAMK2A (0.37) | CAMK2ACYP1A2CYP2D6CYP2C9CYP2C19 | |
| SCHEMBL9790853 | 0.72 | CAMK2A (0.44) | CAMK2ACYP1A2CYP2D6CYP2C9CYP2C19 | |
| SCHEMBL9790676 | 0.72 | CAMK2A (0.44) | CAMK2ACYP1A2CYP2D6CYP2C9CYP2C19 | |
| SCHEMBL9790856 | 0.72 | CAMK2A (0.44) | CAMK2ACYP1A2CYP2D6CYP2C9CYP2C19 | |
| SCHEMBL9790817 | 0.72 | CAMK2A (0.44) | CAMK2ACYP1A2CYP2D6CYP2C9CYP2C19 |
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 |
|---|---|---|---|---|---|---|---|
| US-4869896-A | N,N-DIETHL-M-TOLUAMIDE AND BICYCLIC LACTONE | ANGUS CHEMICAL COMPANY (US) | 1989-09-26 | — | — | US | disclosed |