Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.51 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.51 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.51 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.46 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.39 |
| ▸ | HPGD | P15428 | 2/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.39 |
| ▸ | POLB | P06746 | 1/20 | 0.39 |
| ▸ | TSHR | P16473 | 1/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.39 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.39 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.39 |
| ▸ | BACE1 | P56817 | 2/20 | 0.38 |
| ▸ | FABP4 | P15090 | 2/20 | 0.38 |
| ▸ | MC4R | P32245 | 1/20 | 0.38 |
| ▸ | LDHA | P00338 | 1/20 | 0.38 |
| ▸ | IKBKB | O14920 | 1/20 | 0.38 |
| ▸ | MEN1 | O00255 | 1/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.37 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL21995563 | 1.00 | CYP1A2 (0.51) | CYP1A2CYP2D6CYP2C19SLC6A4KDM4E | |
| SCHEMBL28790153 | 0.72 | LDHA (0.35) | SLC6A4KDM4EHPGDALDH1A1POLB | |
| SCHEMBL28612105 | 0.72 | LDHA (0.44) | SLC6A4KDM4ELDHA | |
| SCHEMBL14032256 | 0.70 | SLC6A4 (0.61) | CYP1A2CYP2D6CYP2C19SLC6A4KDM4E | |
| SCHEMBL9564556 | 0.69 | CYP1A2 (1.00) | CYP1A2CYP2D6CYP2C19SLC6A4KDM4E | |
| SCHEMBL12706131 | 0.69 | CYP1A2 (1.00) | CYP1A2CYP2D6CYP2C19SLC6A4KDM4E | |
| SCHEMBL19611851 | 0.69 | CYP1A2 (0.57) | CYP1A2CYP2D6CYP2C19SLC6A4HPGD | |
| SCHEMBL28204886 | 0.68 | CYP1A2 (0.66) | CYP1A2CYP2D6CYP2C19SLC6A4LDHA | |
| SCHEMBL7528408 | 0.67 | SLC6A4 (0.73) | CYP1A2CYP2D6CYP2C19SLC6A4POLB | |
| SCHEMBL656814 | 0.67 | SLC6A4 (0.73) | CYP1A2CYP2D6CYP2C19SLC6A4POLB |
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-3887371-A1 | ARYL COMPOUNDS FOR THE TREATMENT AND PROPHYLAXIS OF BACTERIAL INFECTION | F. Hoffmann-La Roche AG (CH) | 2021-10-06 | — | — | EP | disclosed |
| WO-2020109191-A1 | ARYL COMPOUNDS FOR THE TREATMENT AND PROPHYLAXIS OF BACTERIAL INFECTION | F. HOFFMANN-LA ROCHE AG (CH) | 2020-06-04 | — | — | WO | disclosed |