Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TACR3 | P29371 | 18/20 | 0.69 |
| ▸ | LMNA | P02545 | 2/20 | 0.57 |
| ▸ | TP53 | P04637 | 1/20 | 0.57 |
| ▸ | TACR2 | P21452 | 5/20 | 0.56 |
| ▸ | TSHR | P16473 | 2/20 | 0.55 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.55 |
| ▸ | MEN1 | O00255 | 2/20 | 0.55 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.55 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.55 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.55 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.55 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.55 |
| ▸ | MTOR | P42345 | 1/20 | 0.55 |
| ▸ | BLM | P54132 | 1/20 | 0.55 |
| ▸ | PMP22 | Q01453 | 1/20 | 0.55 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.55 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.55 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.55 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.55 |
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 | |
|---|---|---|---|---|
| SCHEMBL4477689 | 0.82 | TACR3 (1.00) | TACR3LMNATP53TACR2TSHR | |
| SCHEMBL4464383 | 0.82 | TACR3 (1.00) | TACR3LMNATP53TACR2TSHR | |
| SCHEMBL4477684 | 0.82 | TACR3 (1.00) | TACR3LMNATP53TACR2TSHR | |
| SCHEMBL4668719 | 0.78 | TACR3 (0.57) | TACR3TACR2 | |
| SCHEMBL4665574 | 0.78 | TACR3 (0.57) | TACR3TP53TACR2TSHRMEN1 | |
| SCHEMBL4667323 | 0.78 | TACR3 (0.57) | TACR3TACR2CYP1A2CYP3A4CYP2D6 | |
| SCHEMBL14094494 | 0.78 | TACR3 (0.86) | TACR3LMNATP53TACR2TSHR | |
| SCHEMBL14094516 | 0.77 | TACR3 (0.75) | TACR3LMNATP53TACR2TSHR | |
| SCHEMBL13971436 | 0.77 | TACR3 (0.69) | TACR3LMNATP53TACR2TSHR | |
| SCHEMBL14015159 | 0.76 | TACR3 (0.83) | TACR3LMNATP53TACR2TSHR |
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 |