Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CCR1 | P32246 | 1/20 | 0.40 |
| ▸ | CCR5 | P51681 | 1/20 | 0.40 |
| ▸ | CCR8 | P51685 | 1/20 | 0.40 |
| ▸ | HPGDS | O60760 | 1/20 | 0.38 |
| ▸ | ACHE | P22303 | 1/20 | 0.37 |
| ▸ | MAPT | P10636 | 1/20 | 0.37 |
| ▸ | POLB | P06746 | 1/20 | 0.36 |
| ▸ | KAT2B | Q92831 | 1/20 | 0.35 |
| ▸ | ATP4A | P20648 | 2/20 | 0.35 |
| ▸ | ATP4B | P51164 | 2/20 | 0.35 |
| ▸ | KIT | P10721 | 1/20 | 0.35 |
| ▸ | NQO2 | P16083 | 2/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.34 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.34 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.34 |
| ▸ | PDGFRB | P09619 | 1/20 | 0.34 |
| ▸ | PDGFRA | P16234 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL24916302 | 1.00 | CCR1 (0.40) | CCR1CCR5CCR8HPGDSACHE | |
| SCHEMBL24916307 | 0.83 | CCR1 (0.42) | CCR1CCR5CCR8HPGDSACHE | |
| SCHEMBL24715886 | 0.80 | NQO2 (0.47) | CCR1CCR5CCR8HPGDSACHE | |
| SCHEMBL24715871 | 0.80 | CCR1 (0.40) | CCR1CCR5CCR8HPGDSACHE | |
| SCHEMBL24715864 | 0.80 | MAPT (0.44) | CCR1CCR5CCR8HPGDSACHE | |
| SCHEMBL24916213 | 0.78 | ATP4A (0.43) | CCR1CCR5CCR8HPGDSACHE | |
| SCHEMBL4414248 | 0.72 | PDK2 (0.40) | MAPTPOLBKITNQO2CYP19A1 | |
| SCHEMBL434888 | 0.69 | HPGDS (0.62) | CCR1CCR5CCR8HPGDSMAPT | |
| SCHEMBL10112981 | 0.69 | ACHE (0.43) | CCR1CCR5CCR8ACHEMAPT | |
| SCHEMBL16431498 | 0.67 | MAPT (0.41) | ACHEMAPTPOLBKAT2BNQO2 |
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 |