Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | BACE1 | P56817 | 1/20 | 0.55 |
| ▸ | GRM5 | P41594 | 1/20 | 0.43 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.39 |
| ▸ | GAA | P10253 | 1/20 | 0.39 |
| ▸ | HPGD | P15428 | 1/20 | 0.39 |
| ▸ | ELANE | P08246 | 3/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.35 |
| ▸ | C1R | P00736 | 2/20 | 0.35 |
| ▸ | PARP1 | P09874 | 1/20 | 0.35 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.34 |
| ▸ | TNKS2 | Q9H2K2 | 1/20 | 0.34 |
| ▸ | GABRA1 | P14867 | 1/20 | 0.33 |
| ▸ | GABRB2 | P47870 | 1/20 | 0.33 |
| ▸ | MEN1 | O00255 | 1/20 | 0.33 |
| ▸ | MAPT | P10636 | 1/20 | 0.33 |
| ▸ | HTT | P42858 | 1/20 | 0.33 |
| ▸ | TYMS | P04818 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL24695125 | 1.00 | BACE1 (0.55) | BACE1GRM5KCNH2KDM4EALDH1A1 | |
| SCHEMBL2706604 | 0.83 | BACE1 (0.56) | BACE1GRM5KCNH2KDM4EALDH1A1 | |
| SCHEMBL12433302 | 0.81 | BACE1 (0.55) | BACE1GRM5KCNH2KDM4EALDH1A1 | |
| SCHEMBL12152293 | 0.80 | KCNH2 (0.57) | BACE1KCNH2KDM4EALDH1A1GAA | |
| SCHEMBL4820896 | 0.78 | HTR3A (0.46) | BACE1KCNH2KDM4EALDH1A1GAA | |
| SCHEMBL13668629 | 0.78 | PDE10A (0.47) | KDM4EALDH1A1GAAHPGDELANE | |
| SCHEMBL6212842 | 0.78 | KDM4E (0.47) | BACE1KDM4EALDH1A1GAAHPGD | |
| SCHEMBL17179176 | 0.78 | PDE3B (0.41) | KDM4EALDH1A1GAAHPGDELANE | |
| SCHEMBL17179433 | 0.76 | KDM4E (0.40) | KDM4EALDH1A1GAAHPGDELANE | |
| SCHEMBL18905189 | 0.75 | ELANE (0.41) | KDM4EALDH1A1GAAHPGDELANE |
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-4055013-A1 | WDR5 INHIBITORS AND MODULATORS | Vanderbilt University (US) | 2022-09-14 | — | — | EP | disclosed |