Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CHRM2 | P08172 | 1/20 | 0.39 |
| ▸ | CHRM4 | P08173 | 1/20 | 0.39 |
| ▸ | CHRM5 | P08912 | 1/20 | 0.39 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.39 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.39 |
| ▸ | CYP2A6 | P11509 | 3/20 | 0.39 |
| ▸ | KDM1A | O60341 | 1/20 | 0.35 |
| ▸ | MAPT | P10636 | 1/20 | 0.35 |
| ▸ | ERN1 | O75460 | 2/20 | 0.35 |
| ▸ | HPGD | P15428 | 2/20 | 0.34 |
| ▸ | LMNA | P02545 | 1/20 | 0.34 |
| ▸ | HTT | P42858 | 1/20 | 0.34 |
| ▸ | APP | P05067 | 2/20 | 0.33 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.33 |
| ▸ | PRKDC | P78527 | 1/20 | 0.33 |
| ▸ | ATM | Q13315 | 1/20 | 0.33 |
| ▸ | CHRNA7 | P36544 | 1/20 | 0.33 |
| ▸ | CRHBP | P24387 | 1/20 | 0.32 |
| ▸ | CRHR2 | Q13324 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL9565763 | 0.79 | CYP2A6 (0.35) | CYP2A6 | |
| SCHEMBL9565769 | 0.79 | CYP2A6 (0.44) | CYP2A6MAPTLMNASMN1; SMN2 | |
| SCHEMBL25790635 | 0.76 | — | — | |
| SCHEMBL17816858 | 0.74 | ALOX5 (0.43) | MAPTPRKDC | |
| SCHEMBL4381193 | 0.72 | CYP2A6 (0.54) | CHRM2CHRM4CHRM5CHRM1CHRM3 | |
| SCHEMBL13645635 | 0.70 | — | — | |
| SCHEMBL18803585 | 0.70 | CHRM2 (0.38) | CHRM2CHRM4CHRM5CHRM1CHRM3 | |
| SCHEMBL25907172 | 0.69 | CYP2A6 (0.38) | CYP2A6MAPTLMNASMN1; SMN2 | |
| SCHEMBL21160323 | 0.69 | BRDT (0.33) | MAPT | |
| SCHEMBL2744417 | 0.69 | — | — |
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 |