Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NT5E | P21589 | 2/20 | 0.44 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.41 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.41 |
| ▸ | BCHE | P06276 | 3/20 | 0.35 |
| ▸ | ACHE | P22303 | 3/20 | 0.35 |
| ▸ | GRIN1 | Q05586 | 3/20 | 0.35 |
| ▸ | GRIN2A | Q12879 | 3/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.33 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.33 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.33 |
| ▸ | ENPP3 | O14638 | 1/20 | 0.33 |
| ▸ | ENPP1 | P22413 | 1/20 | 0.33 |
| ▸ | HTT | P42858 | 4/20 | 0.32 |
| ▸ | HPGD | P15428 | 2/20 | 0.32 |
| ▸ | GAA | P10253 | 1/20 | 0.32 |
| ▸ | ATM | Q13315 | 1/20 | 0.32 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.31 |
| ▸ | MEN1 | O00255 | 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 | |
|---|---|---|---|---|
| SCHEMBL10972715 | 0.86 | NT5E (0.45) | NT5ENPSR1CYP1A2CYP2D6BCHE | |
| SCHEMBL10969359 | 0.80 | CYP1A2 (0.43) | NT5ENPSR1CYP1A2CYP2D6BCHE | |
| SCHEMBL11836535 | 0.79 | NT5E (0.46) | NT5ENPSR1CYP1A2ACHEALDH1A1 | |
| SCHEMBL11043654 | 0.76 | CYP1A2 (0.41) | NT5ENPSR1CYP1A2CYP2D6BCHE | |
| SCHEMBL11043650 | 0.76 | CYP1A2 (0.43) | NT5ENPSR1CYP1A2CYP2D6BCHE | |
| SCHEMBL16833120 | 0.75 | CYP1A2 (0.43) | NT5ENPSR1CYP1A2CYP2D6ALDH1A1 | |
| SCHEMBL10507026 | 0.74 | BCHE (0.37) | NT5ENPSR1CYP1A2CYP2D6BCHE | |
| SCHEMBL10505509 | 0.74 | BCHE (0.37) | NT5ENPSR1CYP1A2CYP2D6BCHE | |
| SCHEMBL11830323 | 0.73 | NT5E (0.59) | NT5ENPSR1BCHEACHEGRIN1 | |
| SCHEMBL31696102 | 0.73 | NT5E (0.59) | NT5ENPSR1BCHEACHEGRIN1 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0049776-B1 | 4-QUINOLINE METHANE DERIVATIVES, THEIR PREPARATION AND THEIR USE IN THE PREPARATION OF SUBSTANCES WITH A PHARMACOLOGICAL ACTIVITY | BASF Aktiengesellschaft (DE) | 1985-07-31 | — | — | EP | disclosed |
| US-4429130-A | Pyrid-2'-yl-2-trifluoromethyl quinol-4-ylmethanes | BASF AKTIENGESELLSCHAFT (DE) | 1984-01-31 | — | — | US | disclosed |
| EP-0049776-A2 | 4-Quinoline methane derivatives, their preparation and their use in the preparation of substances with a pharmacological activity | BASF Aktiengesellschaft (DE) | 1982-04-21 | — | — | EP | disclosed |