Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HSP90AA1 | P07900 | 2/20 | 0.59 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.59 |
| ▸ | CYP3A4 | P08684 | 7/20 | 0.57 |
| ▸ | THRB | P10828 | 1/20 | 0.57 |
| ▸ | CYP2C9 | P11712 | 3/20 | 0.45 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.42 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.42 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.42 |
| ▸ | NR1I2 | O75469 | 1/20 | 0.42 |
| ▸ | LMNA | P02545 | 1/20 | 0.42 |
| ▸ | FYN | P06241 | 1/20 | 0.42 |
| ▸ | PGR | P06401 | 1/20 | 0.42 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.42 |
| ▸ | CHRM4 | P08173 | 1/20 | 0.42 |
| ▸ | CHRM5 | P08912 | 1/20 | 0.42 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.42 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.42 |
| ▸ | TSHR | P16473 | 1/20 | 0.42 |
| ▸ | ADRA2B | P18089 | 1/20 | 0.42 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL28599786 | 1.00 | HSP90AA1 (0.59) | HSP90AA1NPSR1CYP3A4THRBCYP2C9 | |
| SCHEMBL28604622 | 1.00 | HSP90AA1 (0.59) | HSP90AA1NPSR1CYP3A4THRBCYP2C9 | |
| SCHEMBL11546179 | 0.90 | HSP90AA1 (0.72) | HSP90AA1NPSR1CYP3A4THRBCYP2C9 | |
| SCHEMBL28611466 | 0.89 | HSP90AA1 (0.58) | HSP90AA1NPSR1CYP3A4THRBCYP2C9 | |
| SCHEMBL28602217 | 0.89 | HSP90AA1 (0.58) | HSP90AA1NPSR1CYP3A4THRBCYP2C9 | |
| SCHEMBL28605860 | 0.89 | HSP90AA1 (0.58) | HSP90AA1NPSR1CYP3A4THRBCYP2C9 | |
| SCHEMBL28619030 | 0.89 | HSP90AA1 (0.58) | HSP90AA1NPSR1CYP3A4THRBCYP2C9 | |
| SCHEMBL11544305 | 0.89 | HSP90AA1 (0.57) | HSP90AA1NPSR1CYP3A4THRBCYP2C9 | |
| SCHEMBL28608936 | 0.89 | HSP90AA1 (0.57) | HSP90AA1NPSR1CYP3A4THRBCYP2C9 | |
| SCHEMBL28602335 | 0.89 | HSP90AA1 (0.57) | HSP90AA1NPSR1CYP3A4THRBCYP2C9 |
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 |