Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ACACB | O00763 | 1/20 | 0.42 |
| ▸ | HDAC1 | Q13547 | 2/20 | 0.38 |
| ▸ | JAK2 | O60674 | 11/20 | 0.38 |
| ▸ | JAK1 | P23458 | 11/20 | 0.38 |
| ▸ | TYK2 | P29597 | 11/20 | 0.38 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.37 |
| ▸ | RET | P07949 | 1/20 | 0.37 |
| ▸ | HTR1A | P08908 | 1/20 | 0.36 |
| ▸ | DRD2 | P14416 | 1/20 | 0.36 |
| ▸ | DRD4 | P21917 | 1/20 | 0.36 |
| ▸ | HTR2A | P28223 | 1/20 | 0.36 |
| ▸ | HTR2C | P28335 | 1/20 | 0.36 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.36 |
| ▸ | HTR7 | P34969 | 1/20 | 0.36 |
| ▸ | DRD3 | P35462 | 1/20 | 0.36 |
| ▸ | NPC1 | O15118 | 1/20 | 0.35 |
| ▸ | RAB9A | P51151 | 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 | |
|---|---|---|---|---|
| SCHEMBL18436009 | 0.84 | PDE10A (0.43) | HDAC1JAK2JAK1TYK2CHRM1 | |
| SCHEMBL18435972 | 0.84 | PDE10A (0.43) | HDAC1JAK2JAK1TYK2CHRM1 | |
| SCHEMBL17128204 | 0.82 | JAK2 (0.41) | ACACBHDAC1JAK2JAK1TYK2 | |
| SCHEMBL17128199 | 0.82 | ACACB (0.43) | ACACBHDAC1JAK2JAK1TYK2 | |
| SCHEMBL19012542 | 0.82 | HDAC1 (0.41) | HDAC1JAK2JAK1TYK2CHRM1 | |
| SCHEMBL19012547 | 0.81 | ACACB (0.47) | ACACBHDAC1JAK2JAK1TYK2 | |
| SCHEMBL19001048 | 0.81 | HPGD (0.42) | HDAC1JAK2JAK1TYK2CHRM1 | |
| SCHEMBL20034304 | 0.81 | ACACB (0.47) | ACACBHDAC1JAK2JAK1TYK2 | |
| SCHEMBL19001060 | 0.81 | HPGD (0.42) | HDAC1JAK2JAK1TYK2CHRM1 | |
| SCHEMBL19001192 | 0.78 | ACACB (0.40) | ACACBHDAC1JAK2JAK1TYK2 |
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-3124482-A1 | QUINOLINE DERIVATIVES AS SMO INHIBITORS | GUANGDONG ZHONGSHENG PHARMACEUTICAL CO., LTD (CN) | 2017-02-01 | — | — | EP | disclosed |