Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NOTUM | Q6P988 | 1/20 | 0.42 |
| ▸ | FFAR4 | Q5NUL3 | 1/20 | 0.40 |
| ▸ | CHRM2 | P08172 | 3/20 | 0.37 |
| ▸ | CHRM1 | P11229 | 2/20 | 0.37 |
| ▸ | CHRM4 | P08173 | 6/20 | 0.37 |
| ▸ | DRD2 | P14416 | 3/20 | 0.37 |
| ▸ | DRD3 | P35462 | 3/20 | 0.37 |
| ▸ | KCNH2 | Q12809 | 3/20 | 0.37 |
| ▸ | MCHR1 | Q99705 | 1/20 | 0.37 |
| ▸ | ACACB | O00763 | 1/20 | 0.36 |
| ▸ | HCRTR1 | O43613 | 1/20 | 0.35 |
| ▸ | HCRTR2 | O43614 | 1/20 | 0.35 |
| ▸ | CCKBR | P32239 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL734130 | 0.92 | NOTUM (0.38) | NOTUMFFAR4CHRM2CHRM1CHRM4 | |
| SCHEMBL27933836 | 0.87 | NOTUM (0.45) | NOTUMFFAR4CHRM2CHRM1CHRM4 | |
| SCHEMBL27832131 | 0.82 | NOTUM (0.39) | NOTUMFFAR4CHRM2CHRM1CHRM4 | |
| SCHEMBL733975 | 0.81 | NOTUM (0.41) | NOTUMFFAR4CHRM2CHRM1CHRM4 | |
| SCHEMBL27812001 | 0.80 | NOTUM (0.43) | NOTUMFFAR4CHRM2CHRM1CHRM4 | |
| SCHEMBL734643 | 0.79 | HSD17B10 (0.44) | — | |
| SCHEMBL736399 | 0.79 | LIPE (0.39) | NOTUMFFAR4CHRM2CHRM1CHRM4 | |
| SCHEMBL736398 | 0.79 | LIPE (0.39) | NOTUMFFAR4CHRM2CHRM1CHRM4 | |
| SCHEMBL734564 | 0.77 | DRD2 (0.45) | NOTUMFFAR4CHRM2CHRM1DRD2 | |
| SCHEMBL734524 | 0.75 | NOTUM (0.36) | NOTUMCHRM2CHRM1CHRM4MCHR1 |
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 |
|---|---|---|---|---|---|---|---|
| CN-102112451-A | Diazepan and piperazine derivatives modulators of chemokine receptors | HOFFMANN LA ROCHE | 2011-06-29 | — | — | CN | disclosed |