Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 7/20 | 0.46 |
| ▸ | THRB | P10828 | 1/20 | 0.46 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.43 |
| ▸ | CYP2C9 | P11712 | 3/20 | 0.42 |
| ▸ | CYP19A1 | P11511 | 2/20 | 0.41 |
| ▸ | HSP90AA1 | P07900 | 3/20 | 0.40 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.40 |
| ▸ | GAA | P10253 | 1/20 | 0.38 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.38 |
| ▸ | SLC6A2 | P23975 | 2/20 | 0.37 |
| ▸ | SLC6A4 | P31645 | 2/20 | 0.37 |
| ▸ | SLC6A3 | Q01959 | 2/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.36 |
| ▸ | HPGD | P15428 | 1/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.36 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.35 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.35 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.35 |
| ▸ | POLB | P06746 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL11543211 | 0.87 | CYP3A4 (0.51) | CYP3A4THRBKDM4ECYP2C9CYP19A1 | |
| SCHEMBL11544361 | 0.86 | CYP3A4 (0.50) | CYP3A4THRBKDM4ECYP2C9CYP19A1 | |
| SCHEMBL11542064 | 0.81 | CYP3A4 (0.48) | CYP3A4THRBCYP2C9CYP19A1HSP90AA1 | |
| SCHEMBL9087421 | 0.80 | CYP3A4 (0.52) | CYP3A4THRBKDM4ECYP2C9CYP19A1 | |
| SCHEMBL11545660 | 0.80 | CYP3A4 (0.49) | CYP3A4THRBKDM4ECYP2C9HSP90AA1 | |
| SCHEMBL11545358 | 0.80 | SLC6A4 (0.53) | CYP3A4THRBCYP2C9HSP90AA1NPSR1 | |
| SCHEMBL9729882 | 0.79 | GAA (0.51) | CYP3A4THRBKDM4ECYP2C9CYP19A1 | |
| SCHEMBL11540746 | 0.79 | CYP3A4 (0.56) | CYP3A4THRBKDM4ECYP2C9HSP90AA1 | |
| Azaconazole SCHEMBL29354903 | 0.79 | CYP3A4 (0.69) | CYP3A4THRBKDM4ECYP2C9HSP90AA1 | |
| Azaconazole SCHEMBL21056 | 0.79 | CYP3A4 (0.69) | CYP3A4THRBKDM4ECYP2C9HSP90AA1 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-4160838-A | FUNGICIDES, BACTERICIDES | JANSSEN PHARMACEUTICA N.V. (BE) | 1979-07-10 | — | — | US | disclosed |
| US-4079062-A | ANTIMICROBIAL, PLANT GROWTH REGULATORS; 1-(B-ARYL)ETHYL-1H-1,2,4-TRIAZOLE KETALS | JANSSEN PHARMACEUTICA N.V. (BE) | 1978-03-14 | — | — | US | disclosed |