Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CHRNA7 | P36544 | 1/20 | 0.55 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.52 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.52 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.52 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.52 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.52 |
| ▸ | CYP2A6 | P11509 | 2/20 | 0.51 |
| ▸ | HRH1 | P35367 | 2/20 | 0.49 |
| ▸ | FDPS | P14324 | 1/20 | 0.46 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.41 |
| ▸ | PKM | P14618 | 1/20 | 0.41 |
| ▸ | CHRNB2 | P17787 | 3/20 | 0.41 |
| ▸ | CHRNA4 | P43681 | 3/20 | 0.41 |
| ▸ | NAPRT | Q6XQN6 | 1/20 | 0.40 |
| ▸ | RECQL | P46063 | 1/20 | 0.39 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.39 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.39 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL21361297 | 0.83 | CHRNA7 (0.55) | CHRNA7CYP2D6CYP3A4SLC6A2SLC6A4 | |
| SCHEMBL29821867 | 0.83 | FDPS (0.50) | CHRNA7CYP2D6CYP3A4SLC6A2SLC6A4 | |
| SCHEMBL29821936 | 0.83 | FDPS (0.50) | CHRNA7CYP2D6CYP3A4SLC6A2SLC6A4 | |
| SCHEMBL8171229 | 0.81 | FDPS (0.42) | CHRNA7CYP2D6CYP3A4SLC6A2SLC6A4 | |
| SCHEMBL4960243 | 0.79 | CHRNA7 (0.55) | CHRNA7CYP2D6CYP3A4SLC6A2SLC6A4 | |
| SCHEMBL6160317 | 0.79 | CYP2A6 (0.59) | CHRNA7CYP2D6CYP3A4SLC6A2SLC6A4 | |
| SCHEMBL11517810 | 0.77 | EPHX1 (0.48) | CYP2D6SLC6A2SLC6A4SLC6A3CYP2A6 | |
| SCHEMBL8824074 | 0.77 | CHRNA7 (0.55) | CHRNA7CYP2D6CYP3A4SLC6A2SLC6A4 | |
| SCHEMBL15447907 | 0.75 | TDP1 (0.53) | CHRNA7CYP2D6CYP3A4SLC6A2SLC6A4 | |
| SCHEMBL19737206 | 0.75 | CHRNA7 (0.53) | CHRNA7CYP2D6CYP3A4SLC6A2SLC6A4 |
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-3145920-B1 | ENANTIOPURE HAPTENS FOR NICOTINE VACCINE DEVELOPMENT | SCRIPPS RESEARCH INST (US) | 2019-09-18 | — | — | EP | disclosed |