Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 2/20 | 0.38 |
| ▸ | TP53 | P04637 | 1/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.37 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.37 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.37 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.37 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.36 |
| ▸ | GAA | P10253 | 1/20 | 0.36 |
| ▸ | MAPT | P10636 | 1/20 | 0.34 |
| ▸ | PSEN1 | P49768 | 2/20 | 0.33 |
| ▸ | PSEN2 | P49810 | 2/20 | 0.33 |
| ▸ | APH1B | Q8WW43 | 2/20 | 0.33 |
| ▸ | NCSTN | Q92542 | 2/20 | 0.33 |
| ▸ | APH1A | Q96BI3 | 2/20 | 0.33 |
| ▸ | PSENEN | Q9NZ42 | 2/20 | 0.33 |
| ▸ | SLC18A3 | Q16572 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL6809917 | 0.82 | ADRA2A (0.36) | — | |
| SCHEMBL18627855 | 0.79 | MAPT (0.35) | ALDH1A1MAPTPSEN1PSEN2APH1B | |
| SCHEMBL9608600 | 0.74 | MAPT (0.36) | TSHRTP53ALDH1A1CYP1A2CYP3A4 | |
| SCHEMBL9608592 | 0.73 | MAPT (0.36) | MAPT | |
| SCHEMBL794330 | 0.73 | NPC1 (0.37) | ALDH1A1MAPT | |
| SCHEMBL17651673 | 0.71 | ALDH1A1 (0.54) | ALDH1A1L3MBTL1MAPT | |
| SCHEMBL17661784 | 0.71 | ALDH1A1 (0.54) | ALDH1A1L3MBTL1MAPT | |
| SCHEMBL16221279 | 0.71 | ALDH1A1 (0.54) | ALDH1A1L3MBTL1MAPT | |
| SCHEMBL770325 | 0.71 | MMP8 (0.39) | MAPT | |
| SCHEMBL770346 | 0.70 | MMP8 (0.40) | TSHRALDH1A1CYP1A2CYP3A4CYP2C9 |
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-2069305-A2 | NICOTINIC ACID DERIVATIVES AS MODULATORS OF METABOTROPIC GLUTAMATE RECEPTORS | Novartis AG (CH) | 2009-06-17 | — | — | EP | disclosed |
| WO-2008031550-A2 | NICOTINIC ACID DERIVATIVES AS MODULATORS OF METABOTROPIC GLUTANATE RECEPTORS | NOVARTIS AG (CH) | 2008-03-20 | — | — | WO | disclosed |