Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HPGD | P15428 | 2/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.39 |
| ▸ | CASR | P41180 | 1/20 | 0.38 |
| ▸ | GABBR2 | O75899 | 4/20 | 0.37 |
| ▸ | GABBR1 | Q9UBS5 | 4/20 | 0.37 |
| ▸ | LMNA | P02545 | 2/20 | 0.37 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.37 |
| ▸ | MEN1 | O00255 | 2/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.37 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.37 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.37 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.37 |
| ▸ | DRD3 | P35462 | 1/20 | 0.37 |
| ▸ | BLM | P54132 | 1/20 | 0.37 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.37 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.37 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.37 |
| ▸ | THRB | P10828 | 1/20 | 0.37 |
| ▸ | TSHR | P16473 | 1/20 | 0.37 |
| ▸ | EPHX1 | P07099 | 4/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL21708683 | 0.87 | F10 (0.38) | GABBR2GABBR1CYP2C9CYP3A4CYP1A2 | |
| SCHEMBL21708681 | 0.85 | L3MBTL1 (0.46) | CASR | |
| SCHEMBL21708792 | 0.82 | TAS1R3 (0.33) | GABBR2GABBR1LMNACYP2C9MEN1 | |
| SCHEMBL21708663 | 0.81 | ROCK2 (0.44) | HPGDALDH1A1CASRCYP2C9MEN1 | |
| SCHEMBL21708777 | 0.81 | KMT2A (0.38) | HPGDALDH1A1CASRMEN1KMT2A | |
| SCHEMBL563435 | 0.80 | F10 (0.48) | HPGDALDH1A1GABBR2GABBR1LMNA | |
| SCHEMBL21609293 | 0.80 | F2 (0.47) | HPGDALDH1A1GABBR2GABBR1LMNA | |
| SCHEMBL29848001 | 0.80 | F2 (0.47) | HPGDALDH1A1GABBR2GABBR1LMNA | |
| SCHEMBL21708638 | 0.79 | GABBR2 (0.38) | ALDH1A1GABBR2GABBR1LMNACYP2C9 | |
| SCHEMBL21708646 | 0.79 | NISCH (0.37) | HPGDALDH1A1GABBR2GABBR1LMNA |
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 |