Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SLC6A2 | P23975 | 1/20 | 0.58 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.58 |
| ▸ | CHRNA7 | P36544 | 2/20 | 0.55 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.52 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.50 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.50 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.49 |
| ▸ | HRH1 | P35367 | 2/20 | 0.49 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.47 |
| ▸ | PKM | P14618 | 1/20 | 0.47 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.47 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.47 |
| ▸ | LMNA | P02545 | 1/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL17064309 | 0.89 | CYP2A6 (0.58) | SLC6A2SLC6A4CHRNA7CYP2A6TDP1 | |
| Pivalate SCHEMBL28287278 | 0.86 | TBXAS1 (0.49) | SLC6A2SLC6A4KDM4ECYP1A2LMNA | |
| SCHEMBL7427487 | 0.82 | CYP2A6 (0.54) | SLC6A2SLC6A4CHRNA7CYP2A6TDP1 | |
| SCHEMBL7340530 | 0.82 | SLC6A2 (0.46) | SLC6A2SLC6A4CHRNA7CYP2A6TDP1 | |
| SCHEMBL7407607 | 0.81 | CYP2A6 (0.53) | SLC6A2SLC6A4CHRNA7CYP2A6TDP1 | |
| SCHEMBL6569542 | 0.81 | CYP2A6 (0.53) | SLC6A2SLC6A4CHRNA7CYP2A6TDP1 | |
| SCHEMBL24933229 | 0.80 | CHRNB2 (0.56) | CHRNA7KDM4EALDH1A1PKMCYP1A2 | |
| Bicarbonate SCHEMBL9519855 | 0.80 | TBXAS1 (0.62) | SLC6A2SLC6A4CHRNA7CYP2A6TDP1 | |
| SCHEMBL17691524 | 0.79 | CHRNB2 (0.54) | SLC6A2SLC6A4CHRNA7CYP2A6TDP1 | |
| SCHEMBL724866 | 0.79 | CHRNA7 (0.74) | CHRNA7CYP2A6TDP1L3MBTL1HRH3 |
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 |
|---|---|---|---|---|---|---|---|
| EP-3030556-B1 | SELECTIVE FKBP51 LIGANDS FOR TREATMENT OF PSYCHIATRIC DISORDERS | UNIV DARMSTADT TECH (DE) | 2019-10-30 | — | — | EP | disclosed |
| US-6043227-A | C11 carbamates of macrolide antibacterials | PFIZER INC. (US) | 2000-03-28 | — | — | US | disclosed |