Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTGDR2 | Q9Y5Y4 | 4/20 | 0.44 |
| ▸ | ADRA2A | P08913 | 3/20 | 0.41 |
| ▸ | USP2 | O75604 | 1/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.41 |
| ▸ | HTR1A | P08908 | 1/20 | 0.41 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.41 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.41 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.41 |
| ▸ | DRD1 | P21728 | 1/20 | 0.41 |
| ▸ | TBXA2R | P21731 | 1/20 | 0.41 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.41 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.41 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.41 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.41 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.41 |
| ▸ | DRD3 | P35462 | 1/20 | 0.41 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.41 |
| ▸ | ADRA2B | P18089 | 2/20 | 0.39 |
| ▸ | ADRA2C | P18825 | 2/20 | 0.39 |
| ▸ | MEN1 | O00255 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL11398516 | 0.83 | PTGDR2 (0.47) | PTGDR2ADRA2AUSP2CYP1A2HTR1A | |
| SCHEMBL11536099 | 0.83 | PTGDR2 (0.44) | PTGDR2ADRA2AUSP2CYP1A2HTR1A | |
| SCHEMBL11272166 | 0.80 | TDP1 (0.43) | ALDH1A1TSHR | |
| SCHEMBL11272091 | 0.78 | L3MBTL1 (0.39) | USP2MAPTSMN1; SMN2ALDH1A1 | |
| SCHEMBL14775347 | 0.72 | PTGDR2 (0.56) | PTGDR2ADRA2AUSP2CYP1A2HTR1A | |
| SCHEMBL11266219 | 0.72 | MAPT (0.47) | CYP1A2CYP2C9MAPTSMN1; SMN2 | |
| SCHEMBL11285398 | 0.70 | CYP1A2 (0.40) | CYP1A2CYP2C9MEN1KMT2AMAPT | |
| SCHEMBL11282098 | 0.69 | TSHR (0.37) | CYP1A2MEN1KMT2ASMN1; SMN2ALDH1A1 | |
| SCHEMBL1790163 | 0.69 | PTGDR2 (0.58) | PTGDR2ADRA2AUSP2CYP1A2HTR1A | |
| SCHEMBL11275609 | 0.69 | SMN1; SMN2 (0.49) | CYP1A2CYP2D6CYP2C9MEN1KMT2A |
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 |
|---|---|---|---|---|---|---|---|
| US-4331674-A | Combating fungi with 4-phenoxy-4-(azolyl-1-yl)-butanoic acid derivatives | BAYER AKTIENGESELLSCHAFT (DE) | 1982-05-25 | — | — | US | disclosed |