Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAP3K12 | Q12852 | 9/20 | 0.44 |
| ▸ | PDE10A | Q9Y233 | 1/20 | 0.38 |
| ▸ | GRIN2D | O15399 | 1/20 | 0.36 |
| ▸ | GRIN3B | O60391 | 1/20 | 0.36 |
| ▸ | GRIN1 | Q05586 | 1/20 | 0.36 |
| ▸ | GRIN2A | Q12879 | 1/20 | 0.36 |
| ▸ | GRIN2B | Q13224 | 1/20 | 0.36 |
| ▸ | GRIN2C | Q14957 | 1/20 | 0.36 |
| ▸ | GRIN3A | Q8TCU5 | 1/20 | 0.36 |
| ▸ | CHRNA7 | P36544 | 1/20 | 0.36 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.36 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.34 |
| ▸ | OPRL1 | P41146 | 1/20 | 0.34 |
| ▸ | AKR1C3 | P42330 | 1/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.32 |
| ▸ | POLB | P06746 | 1/20 | 0.32 |
| ▸ | MCHR1 | Q99705 | 1/20 | 0.32 |
| ▸ | HCRTR1 | O43613 | 1/20 | 0.31 |
| ▸ | HCRTR2 | O43614 | 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 | |
|---|---|---|---|---|
| SCHEMBL1108634 | 0.81 | MAP3K12 (0.44) | MAP3K12PDE10AGRIN2DGRIN3BGRIN1 | |
| SCHEMBL25855693 | 0.81 | MAP3K12 (0.50) | MAP3K12GRIN2DGRIN3BGRIN1GRIN2A | |
| SCHEMBL12879203 | 0.79 | MAP3K12 (0.44) | MAP3K12CHRNA7KCNH2ALDH1A1POLB | |
| SCHEMBL26151688 | 0.78 | MAP3K12 (0.42) | MAP3K12CHRNA7KCNH2MCHR1 | |
| SCHEMBL25855694 | 0.76 | MAPT (0.51) | MAP3K12ALDH1A1POLBMCHR1 | |
| SCHEMBL12879195 | 0.75 | HRH3 (0.41) | MAP3K12ALDH1A1POLB | |
| SCHEMBL4515938 | 0.73 | CHRNA7 (0.37) | PDE10AGRIN2DGRIN3BGRIN1GRIN2A | |
| SCHEMBL21588369 | 0.73 | ADK (0.49) | MAP3K12PDE10A | |
| SCHEMBL21588292 | 0.73 | ADK (0.49) | MAP3K12PDE10A | |
| SCHEMBL31108110 | 0.73 | CHRNB2 (0.52) | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-3193880-B1 | INHIBITING THE TRANSIENT RECEPTOR POTENTIAL A1 ION CHANNEL | LILLY CO ELI (US) | 2020-03-25 | — | — | EP | disclosed |