Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.61 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.61 |
| ▸ | CYP3A4 | P08684 | 9/20 | 0.40 |
| ▸ | THRB | P10828 | 1/20 | 0.40 |
| ▸ | CYP1A2 | P05177 | 5/20 | 0.38 |
| ▸ | CYP2C19 | P33261 | 5/20 | 0.38 |
| ▸ | CYP2D6 | P10635 | 4/20 | 0.38 |
| ▸ | GAA | P10253 | 1/20 | 0.36 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.36 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.36 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.36 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.36 |
| ▸ | CYP2C9 | P11712 | 5/20 | 0.34 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.33 |
| ▸ | TSHR | P16473 | 1/20 | 0.32 |
| ▸ | PKM | P14618 | 1/20 | 0.32 |
| ▸ | CNR2 | P34972 | 1/20 | 0.31 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.31 |
| ▸ | HPGD | P15428 | 1/20 | 0.31 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL11547515 | 0.94 | HSP90AA1 (0.63) | HSP90AA1NPSR1CYP3A4THRBCYP1A2 | |
| SCHEMBL11541071 | 0.86 | CYP3A4 (0.50) | HSP90AA1NPSR1CYP3A4THRBCYP1A2 | |
| SCHEMBL11547879 | 0.86 | GAA (0.49) | HSP90AA1NPSR1CYP3A4THRBCYP1A2 | |
| SCHEMBL11542005 | 0.86 | ALDH1A1 (0.48) | HSP90AA1NPSR1CYP3A4THRBGAA | |
| SCHEMBL9457894 | 0.81 | ALDH1A1 (0.44) | HSP90AA1NPSR1CYP3A4THRBCYP1A2 | |
| SCHEMBL11543620 | 0.81 | HSP90AA1 (0.48) | HSP90AA1NPSR1CYP3A4THRBCYP1A2 | |
| SCHEMBL11547359 | 0.81 | HSP90AA1 (0.48) | HSP90AA1NPSR1CYP3A4THRBCYP1A2 | |
| SCHEMBL9087421 | 0.81 | CYP3A4 (0.52) | HSP90AA1NPSR1CYP3A4THRBCYP1A2 | |
| SCHEMBL9996051 | 0.81 | HSP90AA1 (0.48) | HSP90AA1NPSR1CYP3A4THRBCYP1A2 | |
| SCHEMBL9458694 | 0.80 | HSP90AA1 (0.42) | HSP90AA1NPSR1CYP3A4THRBCYP1A2 |
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 |