Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PPARA | Q07869 | 5/20 | 0.40 |
| ▸ | CYP3A4 | P08684 | 4/20 | 0.40 |
| ▸ | MEN1 | O00255 | 2/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.40 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.40 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.40 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.40 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.40 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.40 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.40 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.40 |
| ▸ | CYP2C19 | P33261 | 3/20 | 0.40 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.40 |
| ▸ | MAPT | P10636 | 1/20 | 0.40 |
| ▸ | GAA | P10253 | 1/20 | 0.39 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.39 |
| ▸ | GPR55 | Q9Y2T6 | 1/20 | 0.39 |
| ▸ | CNR1 | P21554 | 5/20 | 0.38 |
| ▸ | CNR2 | P34972 | 4/20 | 0.38 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL11275325 | 0.86 | CYP3A4 (0.47) | CYP3A4MEN1KMT2AADORA3CHRM1 | |
| SCHEMBL11274755 | 0.84 | PPARA (0.41) | PPARACYP3A4MEN1KMT2AADORA3 | |
| SCHEMBL11268638 | 0.84 | PPARA (0.50) | PPARACYP3A4MEN1KMT2AADORA3 | |
| SCHEMBL11283155 | 0.83 | CYP1A2 (0.44) | PPARACYP3A4MEN1KMT2ACYP1A2 | |
| SCHEMBL11276687 | 0.82 | PPARA (0.41) | PPARACYP3A4MEN1KMT2AADORA3 | |
| SCHEMBL8496952 | 0.82 | CYP3A4 (0.51) | PPARACYP3A4MEN1KMT2AADORA3 | |
| SCHEMBL11536505 | 0.80 | GAA (0.38) | PPARACYP3A4MEN1KMT2AADORA3 | |
| SCHEMBL11276032 | 0.80 | CYP3A4 (0.42) | PPARACYP3A4MEN1KMT2AADORA3 | |
| SCHEMBL11282053 | 0.80 | CYP3A4 (0.42) | PPARACYP3A4MEN1KMT2AADORA3 | |
| SCHEMBL11292911 | 0.79 | PPARA (0.41) | PPARACYP3A4MEN1KMT2AADORA3 |
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 |