Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 10/20 | 0.42 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.42 |
| ▸ | THRB | P10828 | 1/20 | 0.39 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.36 |
| ▸ | AR | P10275 | 1/20 | 0.35 |
| ▸ | NR1I2 | O75469 | 1/20 | 0.35 |
| ▸ | LMNA | P02545 | 1/20 | 0.35 |
| ▸ | FYN | P06241 | 1/20 | 0.35 |
| ▸ | PGR | P06401 | 1/20 | 0.35 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.35 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.35 |
| ▸ | CHRM4 | P08173 | 1/20 | 0.35 |
| ▸ | CHRM5 | P08912 | 1/20 | 0.35 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.35 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.35 |
| ▸ | TSHR | P16473 | 1/20 | 0.35 |
| ▸ | ADRA2B | P18089 | 1/20 | 0.35 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.35 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.35 |
| ▸ | DRD1 | P21728 | 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 | |
|---|---|---|---|---|
| SCHEMBL15822641 | 0.93 | CYP3A4 (0.44) | CYP3A4CYP2C9THRBKCNH2AR | |
| SCHEMBL15833746 | 0.88 | CYP3A4 (0.52) | CYP3A4CYP2C9THRBKCNH2NR1I2 | |
| SCHEMBL15824059 | 0.85 | CYP3A4 (0.40) | CYP3A4CYP2C9THRBKCNH2AR | |
| SCHEMBL15833838 | 0.82 | CYP3A4 (0.38) | CYP3A4CYP2C9THRB | |
| SCHEMBL15823365 | 0.80 | CYP3A4 (0.55) | CYP3A4CYP2C9THRBKCNH2NR1I2 | |
| SCHEMBL1279614 | 0.78 | CYP3A4 (0.53) | CYP3A4CYP2C9THRBKCNH2AR | |
| SCHEMBL20000651 | 0.77 | CYP3A4 (0.47) | CYP3A4CYP2C9THRBKCNH2NR1I2 | |
| SCHEMBL10594823 | 0.75 | CYP3A4 (0.65) | CYP3A4CYP2C9THRBKCNH2NR1I2 | |
| SCHEMBL16654785 | 0.75 | AR (0.37) | CYP3A4CYP2C9THRBARHSP90AA1 | |
| SCHEMBL1279615 | 0.75 | CYP3A4 (0.47) | CYP3A4CYP2C9THRBKCNH2NR1I2 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2014095534-A1 | NEW SUBSTITUTED TRIAZOLES AND IMIDAZOLES AND THEIR USE AS FUNGICIDES | BASF SE (DE) | 2014-06-26 | — | — | WO | disclosed |
| WO-2014095534-A1 | NEW SUBSTITUTED TRIAZOLES AND IMIDAZOLES AND THEIR USE AS FUNGICIDES | BASF SE (DE) | 2014-06-26 | — | — | WO | disclosed |