Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PPARA | Q07869 | 12/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 5/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 4/20 | 0.38 |
| ▸ | ABCB11 | O95342 | 1/20 | 0.38 |
| ▸ | TSHR | P16473 | 1/20 | 0.38 |
| ▸ | HTR2A | P28223 | 1/20 | 0.38 |
| ▸ | PMP22 | Q01453 | 1/20 | 0.38 |
| ▸ | MEN1 | O00255 | 2/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.37 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.37 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.37 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.37 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.37 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.37 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.37 |
| ▸ | GRIN2D | O15399 | 1/20 | 0.36 |
| ▸ | GRIN3B | O60391 | 1/20 | 0.36 |
| ▸ | GRIN1 | Q05586 | 1/20 | 0.36 |
| ▸ | GRIN2A | Q12879 | 1/20 | 0.36 |
| ▸ | GRIN2B | Q13224 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL11541146 | 0.90 | PPARA (0.41) | PPARACYP3A4CYP1A2ABCB11TSHR | |
| SCHEMBL11537279 | 0.89 | GRIN2D (0.39) | PPARACYP3A4CYP1A2ABCB11TSHR | |
| SCHEMBL11535041 | 0.88 | MAPT (0.47) | PPARATSHRKMT2AMAPTPPARG | |
| SCHEMBL11535116 | 0.88 | CYP1A2 (0.48) | CYP3A4CYP1A2TSHRPMP22CYP2C19 | |
| SCHEMBL11543416 | 0.88 | PTGS2 (0.38) | PPARACYP3A4CYP1A2ABCB11TSHR | |
| SCHEMBL11539084 | 0.88 | GRIN2D (0.38) | PPARACYP3A4CYP1A2ABCB11TSHR | |
| SCHEMBL11461141 | 0.87 | PPARA (0.40) | PPARACYP3A4CYP1A2ABCB11TSHR | |
| SCHEMBL11536839 | 0.86 | ELANE (0.43) | PPARACYP3A4CYP1A2ABCB11TSHR | |
| SCHEMBL11538989 | 0.85 | MAPT (0.37) | PPARACYP3A4CYP1A2ABCB11TSHR | |
| SCHEMBL11533658 | 0.85 | GAA (0.40) | PPARACYP3A4CYP1A2ABCB11TSHR |
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-4154842-A | Fungicidally and bactericidally active 1-azolyl-4-hydroxy-1-phenoxy-butane derivatives | BAYER AKTIENGESELLSCHAFT (DE) | 1979-05-15 | — | — | US | disclosed |