Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TAS1R3 | Q7RTX0 | 1/20 | 0.34 |
| ▸ | TAS1R1 | Q7RTX1 | 1/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.34 |
| ▸ | LMNA | P02545 | 2/20 | 0.34 |
| ▸ | MEN1 | O00255 | 2/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.34 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.34 |
| ▸ | PKM | P14618 | 1/20 | 0.32 |
| ▸ | HTT | P42858 | 1/20 | 0.32 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.32 |
| ▸ | PTGFR | P43088 | 3/20 | 0.32 |
| ▸ | ROCK2 | O75116 | 1/20 | 0.32 |
| ▸ | GAA | P10253 | 1/20 | 0.32 |
| ▸ | IDO1 | P14902 | 1/20 | 0.32 |
| ▸ | TDO2 | P48775 | 1/20 | 0.32 |
| ▸ | CES2 | O00748 | 1/20 | 0.31 |
| ▸ | CES1 | P23141 | 1/20 | 0.31 |
| ▸ | MC4R | P32245 | 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 | |
|---|---|---|---|---|
| SCHEMBL21708464 | 0.89 | PTGFR (0.35) | TAS1R3TAS1R1ALDH1A1PTGFRMC4R | |
| SCHEMBL21708785 | 0.88 | ROCK2 (0.32) | ALDH1A1PTGFRROCK2GAA | |
| SCHEMBL21708590 | 0.87 | L3MBTL1 (0.41) | TAS1R3TAS1R1LMNAMEN1KMT2A | |
| SCHEMBL21708509 | 0.87 | NISCH (0.36) | TAS1R3TAS1R1ALDH1A1MEN1KMT2A | |
| SCHEMBL21708613 | 0.86 | TAS1R3 (0.33) | TAS1R3TAS1R1PTGFRCES2CES1 | |
| SCHEMBL21708593 | 0.86 | CES2 (0.34) | ALDH1A1CES2CES1 | |
| Hydrochloric Acid SCHEMBL21708570 | 0.86 | NISCH (0.35) | TAS1R3TAS1R1ALDH1A1MEN1KMT2A | |
| SCHEMBL21708531 | 0.85 | PTGFR (0.35) | ALDH1A1KMT2ACYP3A4PTGFR | |
| SCHEMBL21708695 | 0.85 | MEN1 (0.38) | LMNAMEN1KMT2ANPSR1HTT | |
| SCHEMBL21708582 | 0.83 | PTGFR (0.38) | PTGFR |
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 |