Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2A6 | P11509 | 4/20 | 0.44 |
| ▸ | KEAP1 | Q14145 | 1/20 | 0.38 |
| ▸ | NFE2L2 | Q16236 | 1/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.37 |
| ▸ | MAPT | P10636 | 9/20 | 0.35 |
| ▸ | CA2 | P00918 | 1/20 | 0.35 |
| ▸ | LMNA | P02545 | 2/20 | 0.34 |
| ▸ | TP53 | P04637 | 1/20 | 0.34 |
| ▸ | THRB | P10828 | 1/20 | 0.32 |
| ▸ | EPHX1 | P07099 | 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 | |
|---|---|---|---|---|
| SCHEMBL25907172 | 0.86 | CYP2A6 (0.38) | CYP2A6KEAP1NFE2L2SMN1; SMN2MAPT | |
| SCHEMBL9565797 | 0.79 | CHRM2 (0.39) | CYP2A6SMN1; SMN2MAPTLMNA | |
| SCHEMBL9565763 | 0.74 | CYP2A6 (0.35) | CYP2A6 | |
| SCHEMBL28273009 | 0.73 | AHR (0.40) | SMN1; SMN2MAPTLMNATP53 | |
| SCHEMBL25790635 | 0.71 | — | — | |
| SCHEMBL22272303 | 0.71 | IDO1 (0.41) | SMN1; SMN2MAPTCA2LMNATP53 | |
| SCHEMBL7867051 | 0.70 | HTR2C (0.53) | CYP2A6MAPT | |
| SCHEMBL9565783 | 0.70 | — | — | |
| SCHEMBL11617762 | 0.67 | CYP2A6 (0.53) | CYP2A6KEAP1NFE2L2SMN1; SMN2MAPT | |
| SCHEMBL8181096 | 0.67 | SIGMAR1 (0.38) | CYP2A6SMN1; SMN2MAPTLMNATHRB |
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 |
|---|---|---|---|---|---|---|---|
| EP-0526951-A1 | 3-Phenyl benzo b thiophenes as pesticidal compounds | SHELL INTERNATIONALE RESEARCHMAATSCHAPPIJ B.V. (NL) | 1993-02-10 | — | — | EP | disclosed |