Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | IDO1 | P14902 | 2/20 | 0.56 |
| ▸ | CLK4 | Q9HAZ1 | 1/20 | 0.55 |
| ▸ | GABRG2 | P18507 | 3/20 | 0.53 |
| ▸ | GABRB3 | P28472 | 3/20 | 0.53 |
| ▸ | GABRA5 | P31644 | 3/20 | 0.53 |
| ▸ | GABRA3 | P34903 | 3/20 | 0.53 |
| ▸ | GABRA1 | P14867 | 1/20 | 0.53 |
| ▸ | CHRNB2 | P17787 | 1/20 | 0.50 |
| ▸ | CHRNA5 | P30532 | 1/20 | 0.50 |
| ▸ | CHRNA4 | P43681 | 1/20 | 0.50 |
| ▸ | CYP17A1 | P05093 | 1/20 | 0.50 |
| ▸ | CYP11B1 | P15538 | 1/20 | 0.50 |
| ▸ | CYP11B2 | P19099 | 1/20 | 0.50 |
| ▸ | GRM5 | P41594 | 1/20 | 0.50 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.49 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.49 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.49 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.49 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.49 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.49 |
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 | |
|---|---|---|---|---|
| SCHEMBL2154026 | 0.83 | CLK4 (0.65) | IDO1CLK4GABRG2GABRB3GABRA5 | |
| SCHEMBL3615921 | 0.83 | NOTUM (0.55) | IDO1CLK4GABRG2GABRB3GABRA5 | |
| SCHEMBL29809001 | 0.83 | CYP11B2 (0.71) | IDO1CLK4GABRG2GABRB3GABRA5 | |
| SCHEMBL13537172 | 0.83 | CYP11B2 (0.71) | IDO1CLK4GABRG2GABRB3GABRA5 | |
| SCHEMBL27787243 | 0.81 | CLK4 (0.63) | IDO1CLK4GABRG2GABRB3GABRA5 | |
| SCHEMBL8274296 | 0.81 | ATM (0.48) | IDO1GRM5ATM | |
| SCHEMBL1435806 | 0.79 | CLK4 (0.53) | IDO1CLK4GABRG2GABRB3GABRA5 | |
| Hydrochloric Acid SCHEMBL28007259 | 0.79 | CLK4 (0.61) | IDO1CLK4GABRG2GABRB3GABRA5 | |
| SCHEMBL31226184 | 0.79 | GABRG2 (0.51) | IDO1CLK4GABRG2GABRB3GABRA5 | |
| SCHEMBL27720302 | 0.79 | IDO1 (0.50) | IDO1CLK4GABRG2GABRB3GABRA5 |
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-3604308-A1 | SUBSTITUTED BICYCLIC DIHYDROPYRIMIDINONES AND THEIR USE AS INHIBITORS OF NEUTROPHIL ELASTASE ACTIVITY | Boehringer Ingelheim International GmbH (DE) | 2020-02-05 | — | — | EP | disclosed |
| US-9657015-B2 | Substituted bicyclic dihydropyrimidinones and their use as inhibitors of neutrophil elastase activity | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2017-05-23 | — | — | US | disclosed |