Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 1/20 | 0.44 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.42 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.42 |
| ▸ | HPGD | P15428 | 1/20 | 0.42 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.42 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.42 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.42 |
| ▸ | PLA2G1B | P04054 | 1/20 | 0.31 |
| ▸ | PLA2G2A | P14555 | 1/20 | 0.31 |
| ▸ | LMNA | P02545 | 1/20 | 0.30 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.30 |
| ▸ | CHRM4 | P08173 | 1/20 | 0.30 |
| ▸ | CHRM5 | P08912 | 1/20 | 0.30 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.30 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.30 |
| ▸ | ADRA2B | P18089 | 1/20 | 0.30 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.30 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.30 |
| ▸ | ADRA1D | P25100 | 1/20 | 0.30 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL5948830 | 0.89 | TSHR (0.42) | TSHRPLA2G1BPLA2G2A | |
| SCHEMBL5948633 | 0.84 | TSHR (0.42) | TSHRPLA2G1BPLA2G2ASIGMAR1 | |
| SCHEMBL3924480 | 0.80 | ALDH1A1 (0.40) | TSHRCYP1A2CYP2C9HPGDMAPK1 | |
| SCHEMBL13143549 | 0.80 | CYP1A2 (0.47) | TSHRCYP1A2CYP2C9HPGDMAPK1 | |
| SCHEMBL24645749 | 0.79 | TSHR (0.34) | TSHRPLA2G1BPLA2G2A | |
| SCHEMBL20996679 | 0.78 | CYP1A2 (0.45) | TSHRCYP1A2CYP2C9HPGDMAPK1 | |
| SCHEMBL35602 | 0.76 | — | — | |
| SCHEMBL5949172 | 0.76 | PLA2G1B (0.42) | PLA2G1BPLA2G2ALMNAKCNH2SIGMAR1 | |
| SCHEMBL5948817 | 0.76 | TSHR (0.39) | TSHRPLA2G1BPLA2G2ALMNACHRM2 | |
| SCHEMBL1285188 | 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-2017050714-A1 | PYRIDINONE DICARBOXAMIDE FOR USE AS BROMODOMAIN INHIBITORS | GLAXOSMITHKLINE INTELLECTUAL PROPERTY (NO.2) LIMITED (GB) | 2017-03-30 | — | — | WO | disclosed |