Predicted protein targets (top 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TAS1R3 | Q7RTX0 | 1/20 | 0.33 |
| ▸ | TAS1R1 | Q7RTX1 | 1/20 | 0.33 |
| ▸ | CTSK | P43235 | 1/20 | 0.30 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.30 |
| ▸ | CASP1 | P29466 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL21708740 | 0.89 | L3MBTL1 (0.32) | TAS1R3TAS1R1ALDH1A1 | |
| SCHEMBL21708706 | 0.87 | L3MBTL1 (0.32) | TAS1R3TAS1R1CTSKALDH1A1 | |
| SCHEMBL21708670 | 0.86 | MEN1 (0.36) | TAS1R3TAS1R1CTSKALDH1A1 | |
| SCHEMBL21708771 | 0.84 | SMN1; SMN2 (0.34) | ALDH1A1 | |
| SCHEMBL21708759 | 0.83 | NPC1 (0.32) | TAS1R3TAS1R1 | |
| SCHEMBL21708704 | 0.81 | TAS1R3 (0.33) | TAS1R3TAS1R1CTSKALDH1A1 | |
| SCHEMBL21656302 | 0.78 | CTSS (0.34) | CTSKALDH1A1 | |
| SCHEMBL21708649 | 0.77 | NR3C1 (0.39) | TAS1R3TAS1R1 | |
| SCHEMBL21708724 | 0.76 | NR3C2 (0.35) | TAS1R3TAS1R1 | |
| SCHEMBL21631919 | 0.75 | CYP2C19 (0.42) | ALDH1A1 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3609869-A1 | SUBSTITUTED N-ARYLETHYL-2-ARYLQUINOLINE-4-CARBOXAMIDES AND USE THEREOF | Bayer Aktiengesellschaft (DE) | 2020-02-19 | — | — | EP | disclosed |