Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CHRM1 | P11229 | 1/20 | 0.50 |
| ▸ | AKR1A1 | P14550 | 1/20 | 0.50 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.50 |
| ▸ | HTR2A | P28223 | 1/20 | 0.50 |
| ▸ | HTR2C | P28335 | 1/20 | 0.50 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.50 |
| ▸ | HRH1 | P35367 | 1/20 | 0.50 |
| ▸ | DRD3 | P35462 | 1/20 | 0.50 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.50 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.50 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.50 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.50 |
| ▸ | TSHR | P16473 | 3/20 | 0.48 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.48 |
| ▸ | NFKB1 | P19838 | 2/20 | 0.48 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.48 |
| ▸ | HDAC7 | Q8WUI4 | 1/20 | 0.44 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.44 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.44 |
| ▸ | HDAC9 | Q9UKV0 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL9196088 | 1.00 | CHRM1 (0.50) | CHRM1AKR1A1CHRM3HTR2AHTR2C | |
| SCHEMBL15656133 | 0.84 | TSHR (0.42) | CHRM1AKR1A1CHRM3HTR2AHTR2C | |
| SCHEMBL3020928 | 0.80 | CHRM1 (0.56) | CHRM1AKR1A1CHRM3HTR2AHTR2C | |
| Ammonia Solution, Strong SCHEMBL31622304 | 0.79 | TSHR (0.48) | CHRM1AKR1A1CHRM3HTR2AHTR2C | |
| SCHEMBL5377086 | 0.79 | — | — | |
| SCHEMBL13636208 | 0.79 | — | — | |
| SCHEMBL8356426 | 0.76 | HDAC1 (0.46) | CHRM1AKR1A1CHRM3HTR2AHTR2C | |
| SCHEMBL606212 | 0.76 | HDAC1 (0.57) | CHRM1AKR1A1CHRM3HTR2AHTR2C | |
| SCHEMBL7723338 | 0.75 | CA2 (0.54) | CHRM1AKR1A1CHRM3HTR2AHTR2C | |
| SCHEMBL14666039 | 0.74 | — | — |
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-2006130607-A2 | CONTROLLED-RELEASE FORMULATION USEFUL FOR TREATING DISORDERS ASSOCIATED WITH HEPATITIS C VIRUS | SCHERING CORPORATION (US) | 2006-12-07 | — | — | WO | disclosed |