Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | LMNA | P02545 | 2/20 | 0.53 |
| ▸ | TACR3 | P29371 | 15/20 | 0.50 |
| ▸ | TACR2 | P21452 | 1/20 | 0.50 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.43 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.43 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.43 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.43 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.43 |
| ▸ | TP53 | P04637 | 1/20 | 0.43 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.41 |
| ▸ | HPGD | P15428 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL4667328 | 0.89 | LMNA (0.53) | LMNATACR3TACR2CYP1A2CYP3A4 | |
| SCHEMBL4665580 | 0.88 | LMNA (0.55) | LMNATACR3TACR2CYP1A2CYP3A4 | |
| SCHEMBL4665602 | 0.88 | LMNA (0.57) | LMNATACR3TACR2CYP1A2CYP3A4 | |
| SCHEMBL5042633 | 0.86 | LMNA (0.56) | LMNATACR3TACR2CYP1A2CYP3A4 | |
| SCHEMBL4667842 | 0.86 | TACR3 (0.56) | LMNATACR3TACR2CYP3A4ALDH1A1 | |
| SCHEMBL5045776 | 0.86 | CYP2D6 (0.56) | LMNATACR3TACR2CYP1A2CYP3A4 | |
| SCHEMBL5041963 | 0.85 | TACR3 (0.55) | LMNATACR3TACR2CYP1A2CYP3A4 | |
| SCHEMBL5045996 | 0.85 | LMNA (0.57) | LMNATACR3TACR2CYP1A2CYP3A4 | |
| SCHEMBL5045721 | 0.84 | LMNA (0.51) | LMNATACR3TACR2CYP1A2CYP3A4 | |
| SCHEMBL5042219 | 0.83 | LMNA (0.55) | LMNATACR3TACR2CYP1A2CYP3A4 |
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-1928834-A1 | ALKYLNITRILE QUINOLINES, AS NK-3 RECEPTOR LIGANDS | AstraZeneca AB (SE) | 2008-06-11 | — | — | EP | claimed |
| WO-2007035157-A1 | ALKYLNITRILE QUINOLINES, AS NK-3 RECEPTOR LIGANDS | ASTRAZENECA AB (SE) | 2007-03-29 | — | — | WO | claimed |