Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.38 |
| ▸ | GAA | P10253 | 1/20 | 0.34 |
| ▸ | CNR1 | P21554 | 1/20 | 0.33 |
| ▸ | TAS1R3 | Q7RTX0 | 1/20 | 0.33 |
| ▸ | TAS1R1 | Q7RTX1 | 1/20 | 0.33 |
| ▸ | CASP1 | P29466 | 1/20 | 0.33 |
| ▸ | PRSS1 | P07477 | 2/20 | 0.32 |
| ▸ | CTSG | P08311 | 2/20 | 0.32 |
| ▸ | CTRB1 | P17538 | 2/20 | 0.32 |
| ▸ | CMA1 | P23946 | 2/20 | 0.32 |
| ▸ | ADRB2 | P07550 | 1/20 | 0.31 |
| ▸ | ADRB1 | P08588 | 1/20 | 0.31 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.31 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.31 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.31 |
| ▸ | BLM | P54132 | 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 | |
|---|---|---|---|---|
| SCHEMBL21708761 | 0.84 | NISCH (0.35) | ALDH1A1GAATAS1R3TAS1R1CASP1 | |
| SCHEMBL21708788 | 0.81 | ALDH1A1 (0.42) | ALDH1A1CYP3A4GAACNR1CASP1 | |
| SCHEMBL21632143 | 0.78 | ALDH1A1 (0.43) | ALDH1A1CYP3A4GAACNR1CASP1 | |
| SCHEMBL21708797 | 0.71 | CASP1 (0.33) | ALDH1A1CYP3A4GAATAS1R3TAS1R1 | |
| SCHEMBL28016548 | 0.69 | ALDH1A1 (0.41) | ALDH1A1CYP3A4GAACNR1ADRB2 | |
| SCHEMBL27944710 | 0.66 | ADRB2 (0.40) | ALDH1A1CYP3A4GAACNR1CASP1 | |
| SCHEMBL21708646 | 0.66 | NISCH (0.37) | ALDH1A1CYP3A4GAATAS1R3TAS1R1 | |
| SCHEMBL21708708 | 0.66 | SMN1; SMN2 (0.33) | ALDH1A1GAATAS1R3TAS1R1 | |
| SCHEMBL14917000 | 0.66 | CNR1 (0.43) | ALDH1A1GAACNR1TAS1R3TAS1R1 | |
| SCHEMBL14917001 | 0.66 | CNR1 (0.43) | ALDH1A1GAACNR1TAS1R3TAS1R1 |
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 |