Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CHRNA7 | P36544 | 1/20 | 0.45 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.40 |
| ▸ | SLC6A2 | P23975 | 2/20 | 0.40 |
| ▸ | SLC6A4 | P31645 | 2/20 | 0.40 |
| ▸ | SLC6A3 | Q01959 | 2/20 | 0.40 |
| ▸ | SLC22A2 | O15244 | 1/20 | 0.40 |
| ▸ | SLC22A1 | O15245 | 1/20 | 0.40 |
| ▸ | GRIN2D | O15399 | 1/20 | 0.40 |
| ▸ | GRIN3B | O60391 | 1/20 | 0.40 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.40 |
| ▸ | CHRM4 | P08173 | 1/20 | 0.40 |
| ▸ | CHRM5 | P08912 | 1/20 | 0.40 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.40 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.40 |
| ▸ | ADRA2B | P18089 | 1/20 | 0.40 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.40 |
| ▸ | DRD1 | P21728 | 1/20 | 0.40 |
| ▸ | HRH2 | P25021 | 1/20 | 0.40 |
| ▸ | HTR2A | P28223 | 1/20 | 0.40 |
| ▸ | HTR2C | P28335 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL7358855 | 0.72 | SLC6A3 (0.42) | SLC6A2SLC6A4SLC6A3OPRM1MEN1 | |
| SCHEMBL4195949 | 0.72 | SLC6A2 (0.51) | CHRNA7CYP2D6SLC6A2SLC6A4SLC6A3 | |
| SCHEMBL8896643 | 0.69 | DRD4 (0.56) | CHRNA7HTR2AHTR2CDRD3HTR2B | |
| SCHEMBL1101974 | 0.67 | MC4R (0.53) | MEN1KMT2ALMNAACHE | |
| SCHEMBL8938188 | 0.66 | CHRNA7 (0.62) | CHRNA7CYP2D6SLC6A2SLC6A4SLC6A3 | |
| SCHEMBL8938184 | 0.66 | CHRNA7 (0.62) | CHRNA7CYP2D6SLC6A2SLC6A4SLC6A3 | |
| SCHEMBL5268174 | 0.65 | ESR1 (0.75) | CHRNA7CYP2D6SLC6A2SLC6A4SLC6A3 | |
| SCHEMBL27444530 | 0.65 | KMT2A (0.43) | MEN1KMT2ALMNABCHEACHE | |
| SCHEMBL4667597 | 0.64 | CYP2D6 (0.76) | CHRNA7CYP2D6SLC6A2SLC6A4SLC6A3 | |
| SCHEMBL14361130 | 0.64 | ESR1 (0.59) | CHRNA7CYP2D6SLC6A2SLC6A4SLC6A3 |
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 |
|---|---|---|---|---|---|---|---|
| US-5750754-A | TERTIARY BUTYL 3-METHYL-4-SUBSTITUTED BUTYRATE; CHEMICAL INTERMEDIATES FOR ANTICAOGULANT DRUGS | ZENECA LIMITED (GB) | 1998-05-12 | — | — | US | disclosed |