Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 2/20 | 0.47 |
| ▸ | TACR3 | P29371 | 12/20 | 0.46 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.41 |
| ▸ | PDE10A | Q9Y233 | 3/20 | 0.40 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.40 |
| ▸ | LMNA | P02545 | 2/20 | 0.39 |
| ▸ | TACR2 | P21452 | 1/20 | 0.39 |
| ▸ | DHODH | Q02127 | 2/20 | 0.39 |
| ▸ | TP53 | P04637 | 1/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.39 |
| ▸ | L3MBTL1 | Q9Y468 | 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 | |
|---|---|---|---|---|
| SCHEMBL4665277 | 0.99 | TSHR (0.46) | TSHRTACR3KCNH2PDE10ACYP3A4 | |
| SCHEMBL4668635 | 0.92 | TACR3 (0.43) | TSHRTACR3KCNH2PDE10ACYP3A4 | |
| SCHEMBL4667103 | 0.91 | TSHR (0.47) | TSHRTACR3KCNH2PDE10ACYP3A4 | |
| SCHEMBL4665269 | 0.91 | TACR3 (0.42) | TSHRTACR3KCNH2PDE10ACYP3A4 | |
| SCHEMBL4665274 | 0.91 | TACR3 (0.45) | TSHRTACR3KCNH2KDM4EALDH1A1 | |
| SCHEMBL4668567 | 0.85 | TACR3 (0.37) | TSHRTACR3PDE10ALMNATACR2 | |
| SCHEMBL4667524 | 0.84 | TACR3 (0.47) | TACR3DHODH | |
| SCHEMBL4667476 | 0.84 | TACR3 (0.41) | TSHRTACR3KCNH2PDE10ACYP3A4 | |
| SCHEMBL4667109 | 0.83 | TACR3 (0.46) | TACR3KCNH2DHODH | |
| SCHEMBL4667073 | 0.83 | TACR3 (0.40) | TACR3KCNH2LMNATACR2ALDH1A1 |
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-1940795-A1 | N-OXO-HETEROCYCLE AND N-OXO-ALKYL QUINOLINE-4-CARBOXAMIDES AS NK-3 RECEPTOR LIGANDS | AstraZeneca AB (SE) | 2008-07-09 | — | — | EP | disclosed |
| WO-2007035156-A1 | N-OXO-HETEROCYCLE AND N-OXO-ALKYL QUINOLINE-4-CARBOXAMIDES AS NK-3 RECEPTOR LIGANDS | ASTRAZENECA AB (SE) | 2007-03-29 | — | — | WO | disclosed |