Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AHR | P35869 | 2/20 | 0.37 |
| ▸ | CYP3A4 | P08684 | 4/20 | 0.36 |
| ▸ | PPARA | Q07869 | 4/20 | 0.36 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.36 |
| ▸ | HTR2A | P28223 | 2/20 | 0.36 |
| ▸ | ABCB11 | O95342 | 1/20 | 0.36 |
| ▸ | TSHR | P16473 | 1/20 | 0.36 |
| ▸ | PMP22 | Q01453 | 1/20 | 0.36 |
| ▸ | MEN1 | O00255 | 2/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.34 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.34 |
| ▸ | MAPT | P10636 | 1/20 | 0.34 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.34 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.33 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.33 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.33 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.33 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.33 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.33 |
| ▸ | HTR2C | P28335 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL11461141 | 0.90 | PPARA (0.40) | CYP3A4PPARACYP1A2HTR2AABCB11 | |
| SCHEMBL11537070 | 0.88 | PPARG (0.36) | CYP3A4PPARACYP1A2HTR2AABCB11 | |
| SCHEMBL11544839 | 0.87 | SMN1; SMN2 (0.41) | AHRCYP3A4PPARACYP1A2TSHR | |
| SCHEMBL11537963 | 0.86 | PPARA (0.39) | CYP3A4PPARACYP1A2HTR2AABCB11 | |
| SCHEMBL11461445 | 0.86 | PPARA (0.40) | CYP3A4PPARACYP1A2HTR2AABCB11 | |
| Chlorobenzene SCHEMBL11535046 | 0.85 | PPARA (0.42) | CYP3A4PPARACYP1A2MEN1KMT2A | |
| SCHEMBL11535535 | 0.84 | CYP3A4 (0.33) | CYP3A4PPARACYP1A2HTR2AABCB11 | |
| SCHEMBL11540397 | 0.84 | OPRK1 (0.44) | CYP3A4PPARACYP1A2HTR2AABCB11 | |
| SCHEMBL11536839 | 0.79 | ELANE (0.43) | CYP3A4PPARACYP1A2HTR2AABCB11 | |
| SCHEMBL11538100 | 0.79 | LDHA (0.41) | PPARATSHRMEN1KMT2ACYP2D6 |
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 |