Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TYR | P14679 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.33 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.33 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.33 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.33 |
| ▸ | HPGD | P15428 | 1/20 | 0.33 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.33 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.33 |
| ▸ | BRD4 | O60885 | 1/20 | 0.33 |
| ▸ | PIK3CA | P42336 | 1/20 | 0.32 |
| ▸ | PDE4A | P27815 | 1/20 | 0.32 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.32 |
| ▸ | ADORA2B | P29275 | 1/20 | 0.32 |
| ▸ | PDE4B | Q07343 | 1/20 | 0.32 |
| ▸ | PDE4C | Q08493 | 1/20 | 0.32 |
| ▸ | PDE4D | Q08499 | 1/20 | 0.32 |
| ▸ | GRM5 | P41594 | 1/20 | 0.32 |
| ▸ | USP2 | O75604 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL23214411 | 0.76 | TYR (0.38) | TYRALDH1A1SMN1; SMN2KDM4ECYP1A2 | |
| SCHEMBL23214051 | 0.73 | ALDH1A1 (0.37) | TYRALDH1A1SMN1; SMN2KDM4ECYP1A2 | |
| SCHEMBL4338963 | 0.70 | GRM5 (0.37) | TYRALDH1A1SMN1; SMN2KDM4ECYP1A2 | |
| Bromide SCHEMBL29287564 | 0.69 | GRM5 (0.36) | TYRALDH1A1ADORA2AADORA2BGRM5 | |
| Iodide SCHEMBL669031 | 0.69 | GRM5 (0.36) | TYRALDH1A1ADORA2AADORA2BGRM5 | |
| SCHEMBL9645498 | 0.67 | CYP19A1 (0.45) | TYRALDH1A1SMN1; SMN2GRM5LMNA | |
| Iodide SCHEMBL4352736 | 0.66 | GRM5 (0.35) | TYRALDH1A1GRM5KMT2A | |
| SCHEMBL26253757 | 0.64 | TYR (0.37) | TYRALDH1A1SMN1; SMN2HSD17B10 | |
| Trifluoromethanesulfonic Acid SCHEMBL4342193 | 0.64 | ALDH1A1 (0.33) | TYRALDH1A1SMN1; SMN2GRM5LMNA | |
| SCHEMBL25791557 | 0.63 | ALDH1A1 (0.34) | ALDH1A1LMNAMEN1KMT2A |
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 |
|---|---|---|---|---|---|---|---|
| WO-2021070132-A1 | BI-ARYL DIHYDROOROTATE DEHYDROGENASE INHIBITORS | JANSSEN BIOTECH, INC. (US) | 2021-04-15 | — | — | WO | disclosed |