Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TACR3 | P29371 | 10/20 | 0.57 |
| ▸ | TACR2 | P21452 | 4/20 | 0.57 |
| ▸ | TSHR | P16473 | 2/20 | 0.57 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.57 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.57 |
| ▸ | MEN1 | O00255 | 1/20 | 0.57 |
| ▸ | TP53 | P04637 | 1/20 | 0.57 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.57 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.57 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.57 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.57 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.57 |
| ▸ | BLM | P54132 | 1/20 | 0.57 |
| ▸ | PMP22 | Q01453 | 1/20 | 0.57 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.57 |
| ▸ | ATM | Q13315 | 1/20 | 0.57 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.57 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.57 |
| ▸ | FFAR4 | Q5NUL3 | 1/20 | 0.57 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.57 |
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 | |
|---|---|---|---|---|
| SCHEMBL4667323 | 0.90 | TACR3 (0.57) | TACR3TACR2CYP2C9CYP1A2CYP3A4 | |
| SCHEMBL4668719 | 0.90 | TACR3 (0.57) | TACR3TACR2 | |
| SCHEMBL4665598 | 0.87 | TACR3 (0.50) | TACR3TACR2 | |
| SCHEMBL4667840 | 0.87 | TACR3 (0.59) | TACR3TACR2CYP3A4 | |
| SCHEMBL4665564 | 0.84 | TACR3 (0.61) | TACR3TACR2CYP2C9CYP1A2CYP3A4 | |
| SCHEMBL5042628 | 0.84 | TACR3 (0.62) | TACR3TACR2 | |
| SCHEMBL14094497 | 0.78 | TACR3 (0.64) | TACR3TACR2TSHRCYP2C9ALDH1A1 | |
| SCHEMBL4665583 | 0.78 | TACR3 (0.69) | TACR3TACR2TSHRCYP2C9ALDH1A1 | |
| SCHEMBL14094521 | 0.78 | TACR3 (0.60) | TACR3TACR2TSHRCYP2C9ALDH1A1 | |
| SCHEMBL4665580 | 0.77 | LMNA (0.55) | TACR3TACR2TSHRCYP2C9ALDH1A1 |
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 4 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 |
| EP-1928834-A1 | ALKYLNITRILE QUINOLINES, AS NK-3 RECEPTOR LIGANDS | AstraZeneca AB (SE) | 2008-06-11 | — | — | EP | disclosed |
| WO-2007035157-A1 | ALKYLNITRILE QUINOLINES, AS NK-3 RECEPTOR LIGANDS | ASTRAZENECA AB (SE) | 2007-03-29 | — | — | WO | disclosed |