Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.49 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.49 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.46 |
| ▸ | CYP2C19 | P33261 | 3/20 | 0.45 |
| ▸ | TSHR | P16473 | 3/20 | 0.45 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.45 |
| ▸ | LMNA | P02545 | 1/20 | 0.45 |
| ▸ | RAB9A | P51151 | 1/20 | 0.45 |
| ▸ | KMO | O15229 | 2/20 | 0.43 |
| ▸ | SLC6A2 | P23975 | 2/20 | 0.43 |
| ▸ | SLC6A4 | P31645 | 2/20 | 0.43 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.43 |
| ▸ | SCN1A | P35498 | 1/20 | 0.43 |
| ▸ | SCN2A | Q99250 | 1/20 | 0.43 |
| ▸ | SCN3A | Q9NY46 | 1/20 | 0.43 |
| ▸ | MEN1 | O00255 | 1/20 | 0.42 |
| ▸ | GAA | P10253 | 1/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.42 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.42 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL16561481 | 0.85 | CYP3A4 (0.45) | ALDH1A1CYP1A2CYP3A4CYP2C19TSHR | |
| SCHEMBL25152686 | 0.83 | CYP1A2 (0.51) | ALDH1A1CYP1A2CYP3A4CYP2C19TSHR | |
| SCHEMBL1209089 | 0.83 | CYP1A2 (0.51) | ALDH1A1CYP1A2CYP3A4CYP2C19TSHR | |
| SCHEMBL14292125 | 0.83 | KCNA5 (0.48) | ALDH1A1CYP1A2CYP3A4CYP2C19TSHR | |
| SCHEMBL16477945 | 0.80 | KCNA5 (0.53) | ALDH1A1CYP1A2CYP3A4TSHRLMNA | |
| SCHEMBL20034107 | 0.80 | KCNA5 (0.53) | ALDH1A1CYP1A2CYP3A4TSHRLMNA | |
| SCHEMBL1156021 | 0.80 | KCNA5 (0.53) | ALDH1A1CYP1A2CYP3A4TSHRLMNA | |
| SCHEMBL22060302 | 0.80 | KCNA5 (0.53) | ALDH1A1CYP1A2CYP3A4TSHRLMNA | |
| SCHEMBL25447692 | 0.80 | TSHR (0.47) | ALDH1A1CYP1A2CYP3A4CYP2C19TSHR | |
| SCHEMBL20099923 | 0.80 | TSHR (0.47) | ALDH1A1CYP1A2CYP3A4CYP2C19TSHR |
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 |