Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADRB2 | P07550 | 1/20 | 0.58 |
| ▸ | PARP1 | P09874 | 2/20 | 0.45 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.42 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.42 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.42 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.42 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.42 |
| ▸ | HTT | P42858 | 1/20 | 0.39 |
| ▸ | DHODH | Q02127 | 3/20 | 0.39 |
| ▸ | MGAM | O43451 | 4/20 | 0.37 |
| ▸ | GAA | P10253 | 4/20 | 0.37 |
| ▸ | SI | P14410 | 4/20 | 0.37 |
| ▸ | MGAM2 | Q2M2H8 | 4/20 | 0.37 |
| ▸ | RPS6KA3 | P51812 | 1/20 | 0.37 |
| ▸ | ADORA3 | P0DMS8 | 2/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.35 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.35 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.35 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.35 |
| ▸ | ADORA2A | P29274 | 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 | |
|---|---|---|---|---|
| SCHEMBL6657865 | 0.84 | ADRB2 (0.58) | ADRB2PARP1KDM4ECYP1A2CYP2D6 | |
| SCHEMBL1285968 | 0.81 | ADRB2 (0.55) | ADRB2PARP1KDM4ECYP1A2CYP2D6 | |
| SCHEMBL6506668 | 0.81 | ADRB2 (0.55) | ADRB2PARP1KDM4ECYP1A2CYP2D6 | |
| SCHEMBL13594653 | 0.80 | ADRB2 (0.52) | ADRB2PARP1KDM4ECYP1A2CYP2D6 | |
| SCHEMBL353026 | 0.79 | CBFB (0.51) | ADRB2PARP1KDM4EHTTRPS6KA3 | |
| SCHEMBL3884588 | 0.76 | PARP1 (0.59) | ADRB2PARP1KDM4ECYP1A2CYP2D6 | |
| SCHEMBL21615514 | 0.76 | ADRB2 (0.42) | ADRB2PARP1HTTDHODHRPS6KA3 | |
| SCHEMBL8265272 | 0.76 | HRH4 (0.48) | ADRB2PARP1HTTDHODHMGAM | |
| SCHEMBL13408208 | 0.76 | HTT (0.52) | ADRB2PARP1HTTMGAMGAA | |
| SCHEMBL6142607 | 0.76 | RPS6KA3 (0.60) | ADRB2PARP1KDM4ECYP1A2CYP2C9 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2005108374-A1 | INSECTICIDAL DIAZOLE AND TRIAZOLE DERIVATIVES | FMC CORPORATION (US) | 2005-11-17 | — | — | WO | disclosed |