Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TDO2 | P48775 | 6/20 | 0.42 |
| ▸ | IKBKB | O14920 | 2/20 | 0.39 |
| ▸ | CHUK | O15111 | 2/20 | 0.39 |
| ▸ | HTR2C | P28335 | 3/20 | 0.39 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.39 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.38 |
| ▸ | GLRA3 | O75311 | 2/20 | 0.36 |
| ▸ | GLRB | P48167 | 2/20 | 0.36 |
| ▸ | MCHR1 | Q99705 | 1/20 | 0.35 |
| ▸ | PTGDR | Q13258 | 1/20 | 0.35 |
| ▸ | CCNT1 | O60563 | 1/20 | 0.35 |
| ▸ | CDK9 | P50750 | 1/20 | 0.35 |
| ▸ | SMN1; SMN2 | Q16637 | 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 | |
|---|---|---|---|---|
| SCHEMBL17456023 | 0.84 | CHRM1 (0.42) | TDO2IKBKBCHUKHTR2CKCNH2 | |
| SCHEMBL17455942 | 0.82 | IKBKB (0.42) | TDO2IKBKBCHUKCYP19A1CCNT1 | |
| SCHEMBL21238872 | 0.82 | HTR2C (0.37) | TDO2IKBKBCHUKHTR2CKCNH2 | |
| SCHEMBL17455989 | 0.81 | IKBKB (0.52) | TDO2IKBKBCHUKCYP19A1PTGDR | |
| SCHEMBL17455970 | 0.78 | CHRM1 (0.43) | TDO2IKBKBCHUKHTR2CKCNH2 | |
| SCHEMBL17455919 | 0.75 | IKBKB (0.42) | TDO2IKBKBCHUKCYP19A1 | |
| SCHEMBL17455990 | 0.74 | IKBKB (0.53) | TDO2IKBKBCHUKCYP19A1 | |
| SCHEMBL17456035 | 0.73 | CHRM1 (0.38) | HTR2CKCNH2GLRA3GLRBMCHR1 | |
| SCHEMBL17455935 | 0.72 | PIK3CD (0.42) | TDO2CYP19A1MCHR1 | |
| SCHEMBL17456044 | 0.72 | MCHR1 (0.44) | HTR2CKCNH2CYP19A1MCHR1 |
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-2982666-B1 | HETEROCYCLIC COMPOUND | TAKEDA PHARMACEUTICALS CO (JP) | 2019-08-07 | — | — | EP | disclosed |