Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTR2A | P28223 | 1/20 | 0.42 |
| ▸ | HTR2C | P28335 | 1/20 | 0.42 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.42 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.42 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.41 |
| ▸ | ESR1 | P03372 | 1/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.41 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.41 |
| ▸ | KDM4A | O75164 | 1/20 | 0.41 |
| ▸ | KDM5A | P29375 | 1/20 | 0.41 |
| ▸ | KDM4C | Q9H3R0 | 1/20 | 0.41 |
| ▸ | KDM5B | Q9UGL1 | 1/20 | 0.41 |
| ▸ | PTGFR | P43088 | 6/20 | 0.40 |
| ▸ | AKR1B1 | P15121 | 1/20 | 0.39 |
| ▸ | HTT | P42858 | 1/20 | 0.38 |
| ▸ | KIF11 | P52732 | 1/20 | 0.38 |
| ▸ | KCNN4 | O15554 | 1/20 | 0.38 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.38 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL10916792 | 0.82 | CYP2C19 (0.48) | HTR2AHTR2CADRA1AOPRK1KCNH2 | |
| SCHEMBL21632147 | 0.81 | PTGFR (0.44) | HTR2AHTR2CADRA1AOPRK1KCNH2 | |
| SCHEMBL21632134 | 0.80 | HTR2A (0.38) | HTR2AHTR2CADRA1AOPRK1KCNH2 | |
| SCHEMBL20535148 | 0.78 | PTGFR (0.43) | ALDH1A1ESR1CYP3A4ESR2PTGFR | |
| SCHEMBL27990042 | 0.77 | PTGFR (0.38) | HTR2AHTR2CADRA1AOPRK1KCNH2 | |
| SCHEMBL4823384 | 0.76 | FEN1 (0.45) | HTR2AHTR2CADRA1AOPRK1KCNH2 | |
| SCHEMBL1682512 | 0.76 | HIF1A (0.53) | ADRA1AALDH1A1ESR1CYP3A4ESR2 | |
| SCHEMBL18516974 | 0.76 | HTR2A (0.40) | HTR2AHTR2CADRA1AOPRK1KCNH2 | |
| SCHEMBL11097563 | 0.76 | FFAR1 (0.38) | HTR2AHTR2CADRA1AOPRK1KCNH2 | |
| SCHEMBL21632132 | 0.75 | PTGFR (0.46) | HTR2AHTR2CADRA1AOPRK1KCNH2 |
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-3609869-A1 | SUBSTITUTED N-ARYLETHYL-2-ARYLQUINOLINE-4-CARBOXAMIDES AND USE THEREOF | Bayer Aktiengesellschaft (DE) | 2020-02-19 | — | — | EP | disclosed |
| WO-2018189011-A1 | SUBSTITUTED N-ARYLETHYL-2-ARYLQUINOLINE-4-CARBOXAMIDES AND USE THEREOF | BAYER AKTIENGESELLSCHAFT (DE) | 2018-10-18 | — | — | WO | disclosed |