Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CHRM2 | P08172 | 14/20 | 0.57 |
| ▸ | HTR1A | P08908 | 1/20 | 0.55 |
| ▸ | ADRA1D | P25100 | 1/20 | 0.55 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.55 |
| ▸ | ADRA1B | P35368 | 1/20 | 0.55 |
| ▸ | BCHE | P06276 | 5/20 | 0.53 |
| ▸ | ACHE | P22303 | 5/20 | 0.53 |
| ▸ | CHRM4 | P08173 | 5/20 | 0.53 |
| ▸ | CHRM5 | P08912 | 5/20 | 0.53 |
| ▸ | CHRM1 | P11229 | 5/20 | 0.53 |
| ▸ | CHRM3 | P20309 | 5/20 | 0.53 |
| ▸ | GRIN1 | Q05586 | 4/20 | 0.53 |
| ▸ | GRIN2A | Q12879 | 4/20 | 0.53 |
| ▸ | RECQL | P46063 | 2/20 | 0.53 |
| ▸ | TP53 | P04637 | 1/20 | 0.53 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.53 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.53 |
| ▸ | TSHR | P16473 | 1/20 | 0.53 |
| ▸ | THPO | P40225 | 1/20 | 0.53 |
| ▸ | IDO1 | P14902 | 1/20 | 0.51 |
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 | |
|---|---|---|---|---|
| SCHEMBL6237597 | 0.81 | CHRM2 (0.47) | CHRM2HTR1AADRA1DADRA1AADRA1B | |
| SCHEMBL6234780 | 0.80 | HTR1A (0.47) | CHRM2HTR1AADRA1DADRA1AADRA1B | |
| SCHEMBL4918374 | 0.80 | CHRM2 (0.80) | CHRM2BCHEACHECHRM4CHRM5 | |
| SCHEMBL4918894 | 0.80 | CHRM2 (0.80) | CHRM2BCHEACHECHRM4CHRM5 | |
| SCHEMBL4918881 | 0.80 | CHRM2 (0.80) | CHRM2BCHEACHECHRM4CHRM5 | |
| SCHEMBL4909317 | 0.79 | CHRM2 (0.79) | CHRM2BCHEACHECHRM4CHRM5 | |
| SCHEMBL6244580 | 0.78 | IDO1 (0.49) | CHRM2HTR1AADRA1DADRA1AADRA1B | |
| SCHEMBL10458199 | 0.77 | IDO1 (0.56) | CHRM2HTR1AADRA1DADRA1AADRA1B | |
| SCHEMBL28384840 | 0.77 | IDO1 (0.66) | CHRM2CHRM1GRIN1GRIN2AIDO1 | |
| SCHEMBL26654 | 0.76 | IDO1 (0.69) | CHRM2BCHEACHECHRM1GRIN1 |
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-2005011697-A2 | SULFONAMIDE DERIVATIVES WITH ACTIVITY ON PROTEIN KINASE A AND B | ASTEX THERAPEUTICS LIMITED (GB) | 2005-02-10 | — | — | WO | disclosed |