Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GAA | P10253 | 2/20 | 0.51 |
| ▸ | ACHE | P22303 | 2/20 | 0.40 |
| ▸ | BRD4 | O60885 | 1/20 | 0.36 |
| ▸ | S1PR1 | P21453 | 1/20 | 0.35 |
| ▸ | PDE4A | P27815 | 3/20 | 0.34 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.34 |
| ▸ | TP53 | P04637 | 1/20 | 0.33 |
| ▸ | MDM2 | Q00987 | 1/20 | 0.33 |
| ▸ | PDE4D | Q08499 | 2/20 | 0.33 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.33 |
| ▸ | CASP1 | P29466 | 1/20 | 0.33 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.33 |
| ▸ | TSHR | P16473 | 1/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.32 |
| ▸ | MAPT | P10636 | 2/20 | 0.32 |
| ▸ | ABCC4 | O15439 | 1/20 | 0.32 |
| ▸ | ABCB11 | O95342 | 1/20 | 0.32 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.32 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL333847 | 0.83 | GAA (0.63) | GAAACHEBRD4KDM4EALDH1A1 | |
| SCHEMBL11038245 | 0.78 | GAA (0.53) | GAA | |
| SCHEMBL11041605 | 0.77 | BRD4 (0.39) | GAABRD4KDM4EALDH1A1PDE4D | |
| Oxalic Acid SCHEMBL15319252 | 0.77 | GAA (0.56) | GAABRD4MAPK1CYP3A4KMT2A | |
| SCHEMBL28634068 | 0.76 | GAA (0.58) | GAABRD4MAPK1CYP3A4KMT2A | |
| SCHEMBL15906664 | 0.75 | GAA (0.57) | GAAACHEBRD4ALDH1A1 | |
| SCHEMBL11045652 | 0.75 | GAA (0.57) | GAABRD4KDM4EALDH1A1MAPK1 | |
| SCHEMBL13593675 | 0.74 | GAA (0.53) | GAABRD4PDE4APDE4DMAPK1 | |
| SCHEMBL9214465 | 0.74 | GAA (0.55) | GAAHTT | |
| SCHEMBL11038671 | 0.73 | ACHE (0.40) | ACHEBRD4S1PR1KDM4EALDH1A1 |
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-0116444-A2 | Improvements in or relating to benzazepine derivatives | ELI LILLY AND COMPANY (US) | 1984-08-22 | — | — | EP | disclosed |