Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 7/20 | 0.76 |
| ▸ | DRD3 | P35462 | 1/20 | 0.63 |
| ▸ | KDM4E | B2RXH2 | 9/20 | 0.58 |
| ▸ | MEN1 | O00255 | 6/20 | 0.58 |
| ▸ | KMT2A | Q03164 | 6/20 | 0.58 |
| ▸ | HPGD | P15428 | 3/20 | 0.58 |
| ▸ | NPC1 | O15118 | 1/20 | 0.58 |
| ▸ | GAA | P10253 | 1/20 | 0.57 |
| ▸ | RAD52 | P43351 | 1/20 | 0.57 |
| ▸ | GLA | P06280 | 1/20 | 0.53 |
| ▸ | LMNA | P02545 | 3/20 | 0.52 |
| ▸ | BRD4 | O60885 | 1/20 | 0.52 |
| ▸ | TSHR | P16473 | 1/20 | 0.52 |
| ▸ | HTT | P42858 | 1/20 | 0.52 |
| ▸ | CYP2J2 | P51589 | 1/20 | 0.52 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.52 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.52 |
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 | |
|---|---|---|---|---|
| SCHEMBL2849523 | 0.92 | DRD3 (0.76) | ALDH1A1DRD3KDM4EMEN1KMT2A | |
| SCHEMBL10915571 | 0.90 | KDM4E (0.62) | ALDH1A1DRD3KDM4EMEN1KMT2A | |
| SCHEMBL5681491 | 0.87 | ALDH1A1 (0.58) | ALDH1A1DRD3KDM4EMEN1KMT2A | |
| SCHEMBL29388444 | 0.86 | ALDH1A1 (1.00) | ALDH1A1DRD3KDM4EMEN1KMT2A | |
| SCHEMBL7809357 | 0.86 | ALDH1A1 (1.00) | ALDH1A1DRD3KDM4EMEN1KMT2A | |
| SCHEMBL6665831 | 0.86 | ALDH1A1 (0.57) | ALDH1A1DRD3KDM4EMEN1KMT2A | |
| SCHEMBL9668463 | 0.85 | ALDH1A1 (0.55) | ALDH1A1DRD3KDM4EMEN1KMT2A | |
| SCHEMBL10653754 | 0.84 | ALDH1A1 (0.54) | ALDH1A1DRD3KDM4EMEN1KMT2A | |
| SCHEMBL7824016 | 0.83 | DRD3 (0.63) | ALDH1A1DRD3KDM4EMEN1KMT2A | |
| SCHEMBL10921339 | 0.83 | ALDH1A1 (0.55) | ALDH1A1DRD3KDM4EMEN1KMT2A |
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 |
|---|---|---|---|---|---|---|---|
| EP-0828715-B1 | N-OXIDES AS ANTIBACTERIAL AGENTS | BAYER AG (DE) | 2001-08-16 | — | — | EP | disclosed |