Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CASP1 | P29466 | 1/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.33 |
| ▸ | LMNA | P02545 | 2/20 | 0.33 |
| ▸ | HTT | P42858 | 3/20 | 0.33 |
| ▸ | MAPT | P10636 | 2/20 | 0.33 |
| ▸ | MEN1 | O00255 | 2/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.33 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.33 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.33 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.33 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.33 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.33 |
| ▸ | RECQL | P46063 | 1/20 | 0.33 |
| ▸ | UBE2M | P61081 | 1/20 | 0.32 |
| ▸ | DCUN1D1 | Q96GG9 | 1/20 | 0.32 |
| ▸ | TAS1R3 | Q7RTX0 | 1/20 | 0.32 |
| ▸ | TAS1R1 | Q7RTX1 | 1/20 | 0.32 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.31 |
| ▸ | GAA | P10253 | 1/20 | 0.31 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL21708717 | 0.84 | CASP1 (0.36) | CASP1ALDH1A1LMNAMAPTMEN1 | |
| SCHEMBL21632028 | 0.78 | ADRB2 (0.35) | CASP1ALDH1A1LMNAHTTCYP2D6 | |
| SCHEMBL21632073 | 0.77 | CYP1A2 (0.47) | LMNAMEN1KMT2ACYP1A2TSHR | |
| SCHEMBL21708646 | 0.76 | NISCH (0.37) | CASP1ALDH1A1LMNAHTTMAPT | |
| SCHEMBL21708675 | 0.75 | CCR1 (0.37) | CASP1ALDH1A1LMNAHTTMAPT | |
| SCHEMBL21708736 | 0.71 | ALDH1A1 (0.38) | CASP1ALDH1A1CYP3A4CYP2D6TAS1R3 | |
| SCHEMBL21708509 | 0.70 | NISCH (0.36) | CASP1ALDH1A1HTTMEN1KMT2A | |
| Hydrochloric Acid SCHEMBL21708570 | 0.70 | NISCH (0.35) | CASP1ALDH1A1HTTMEN1KMT2A | |
| SCHEMBL21708512 | 0.70 | CCR1 (0.36) | CASP1ALDH1A1LMNAHTTMEN1 | |
| SCHEMBL3942717 | 0.68 | HPGD (0.47) | HTTMAPTMEN1KMT2ARECQL |
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 |