Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTR1B | P28222 | 2/20 | 0.45 |
| ▸ | LSS | P48449 | 1/20 | 0.43 |
| ▸ | HRH1 | P35367 | 1/20 | 0.43 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.41 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.41 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.41 |
| ▸ | TOP2A | P11388 | 1/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.39 |
| ▸ | MEN1 | O00255 | 1/20 | 0.39 |
| ▸ | NPC1 | O15118 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.39 |
| ▸ | TP53 | P04637 | 1/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.39 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.39 |
| ▸ | PKM | P14618 | 1/20 | 0.39 |
| ▸ | HPGD | P15428 | 1/20 | 0.39 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.39 |
| ▸ | THPO | P40225 | 1/20 | 0.39 |
| ▸ | GRM5 | P41594 | 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 | |
|---|---|---|---|---|
| SCHEMBL4710329 | 0.88 | CYP1A2 (0.46) | HTR1BCYP1A2CYP2D6CYP2C19GRM5 | |
| SCHEMBL4712681 | 0.86 | GRM5 (0.42) | HTR1BCYP1A2CYP2D6CYP2C19GRM5 | |
| SCHEMBL4710981 | 0.86 | GRM5 (0.47) | HTR1BCYP1A2CYP2D6CYP2C19KDM4E | |
| SCHEMBL4710338 | 0.84 | CYP1A2 (0.41) | HTR1BHRH3CYP1A2CYP2D6CYP2C19 | |
| SCHEMBL4712038 | 0.83 | GRM5 (0.49) | GRM5 | |
| SCHEMBL4711575 | 0.82 | HRH1 (0.48) | HTR1BLSSHRH1KDM4E | |
| SCHEMBL4715746 | 0.81 | ALDH1A1 (0.44) | HTR1BHRH1CYP1A2KDM4EALDH1A1 | |
| SCHEMBL4717150 | 0.80 | ALDH1A1 (0.41) | HTR1BHRH1TOP2AKDM4EALDH1A1 | |
| SCHEMBL4712930 | 0.74 | HRH3 (0.43) | HRH1HRH3CYP2D6CYP2C19 | |
| SCHEMBL7349972 | 0.73 | ALDH1A1 (0.46) | HRH1CYP1A2CYP2D6CYP2C19KDM4E |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0998459-B1 | PYRIDINE DERIVATIVES | NOVARTIS AG (CH) | 2008-04-23 | — | — | EP | claimed |
| EP-0998459-A2 | PYRIDINE DERIVATIVES | Novartis AG (CH) | 2000-05-10 | — | — | EP | claimed |
| WO-1999002497-A2 | PYRIDINE DERIVATIVES | NOVARTIS AG (CH) | 1999-01-21 | — | — | WO | claimed |