Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SLC6A2 | P23975 | 4/20 | 0.44 |
| ▸ | CHRNA1 | P02708 | 1/20 | 0.44 |
| ▸ | CHRNG | P07510 | 1/20 | 0.44 |
| ▸ | CHRNB1 | P11230 | 1/20 | 0.44 |
| ▸ | CHRNB2 | P17787 | 1/20 | 0.44 |
| ▸ | CHRNB4 | P30926 | 1/20 | 0.44 |
| ▸ | CHRNA3 | P32297 | 1/20 | 0.44 |
| ▸ | CHRNA4 | P43681 | 1/20 | 0.44 |
| ▸ | CHRND | Q07001 | 1/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.41 |
| ▸ | SLC6A4 | P31645 | 3/20 | 0.40 |
| ▸ | SLC6A3 | Q01959 | 3/20 | 0.40 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.40 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.40 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.40 |
| ▸ | CHRM4 | P08173 | 1/20 | 0.40 |
| ▸ | CHRM5 | P08912 | 1/20 | 0.40 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.40 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.40 |
| ▸ | ADRA2B | P18089 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL1322736 | 0.88 | CHRM2 (0.46) | SLC6A2CHRNB2CHRNB4CHRNA3CHRNA4 | |
| Phosphine SCHEMBL28252438 | 0.85 | CHRM2 (0.44) | SLC6A2CHRNB2CHRNB4CHRNA3CHRNA4 | |
| Methyl Alcohol SCHEMBL9850585 | 0.81 | CHRM2 (0.46) | SLC6A2CHRNB2CHRNB4CHRNA3CHRNA4 | |
| SCHEMBL11641507 | 0.80 | TSHR (0.42) | SLC6A2CHRNA1CHRNGCHRNB1CHRNB2 | |
| SCHEMBL2841570 | 0.80 | ALDH1A1 (0.42) | ALDH1A1CHRM2CHRM4CHRM5CHRM1 | |
| SCHEMBL11112141 | 0.79 | CYP1A2 (0.38) | SLC6A2CHRNA1CHRNGCHRNB1CHRNB2 | |
| SCHEMBL12533528 | 0.78 | OPRM1 (0.42) | SLC6A2CHRNA1CHRNGCHRNB1CHRNB2 | |
| Butane SCHEMBL19809192 | 0.77 | CHRM2 (0.47) | SLC6A2CHRNB2CHRNB4CHRNA3CHRNA4 | |
| SCHEMBL11020140 | 0.76 | ADRA2B (0.43) | SLC6A2SLC6A4SLC6A3CHRM2CHRM4 | |
| SCHEMBL4548529 | 0.75 | LOXL2 (0.48) | CHRM2CHRM4CHRM5CHRM1CHRM3 |
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-4480114-A | CHEMICAL INTERMEDIATES FOR INSECTICIDES | BAYER AKTIENGESELLSCHAFT (DE) | 1984-10-30 | — | — | US | disclosed |
| EP-0017080-A2 | Process for the preparation of hydroxyethyl azoles; intermediates | BAYER AG (DE) | 1980-10-15 | — | — | EP | disclosed |