Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CCR1 | P32246 | 1/20 | 0.39 |
| ▸ | CCR5 | P51681 | 1/20 | 0.39 |
| ▸ | CCR8 | P51685 | 1/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 5/20 | 0.37 |
| ▸ | NOS3 | P29474 | 1/20 | 0.37 |
| ▸ | NOS1 | P29475 | 1/20 | 0.37 |
| ▸ | NOS2 | P35228 | 1/20 | 0.37 |
| ▸ | CYP1A1 | P04798 | 1/20 | 0.36 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.36 |
| ▸ | CYP2E1 | P05181 | 1/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.36 |
| ▸ | CYP2C8 | P10632 | 1/20 | 0.36 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.36 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.36 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.36 |
| ▸ | CYP4B1 | P13584 | 1/20 | 0.36 |
| ▸ | CYP2B6 | P20813 | 1/20 | 0.36 |
| ▸ | CYP3A5 | P20815 | 1/20 | 0.36 |
| ▸ | CYP2A7 | P20853 | 1/20 | 0.36 |
| ▸ | CYP3A7 | P24462 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL18544288 | 0.82 | CCR1 (0.38) | CCR1CCR5CCR8KDM4ENOS3 | |
| SCHEMBL24916289 | 0.81 | NSD2 (0.50) | CCR1CCR5CCR8KDM4ENOS3 | |
| SCHEMBL29924149 | 0.80 | NOS3 (0.41) | CCR1CCR5CCR8KDM4ENOS3 | |
| SCHEMBL24916103 | 0.80 | NOS3 (0.41) | CCR1CCR5CCR8KDM4ENOS3 | |
| SCHEMBL29923920 | 0.80 | HSP90AA1 (0.50) | CCR1CCR5CCR8KDM4ENOS3 | |
| SCHEMBL5262975 | 0.73 | PDGFRB (0.42) | CCR1CCR5CCR8KDM4ENOS3 | |
| SCHEMBL17502532 | 0.73 | NSD2 (0.40) | CCR1CCR5CCR8NOS3NOS1 | |
| SCHEMBL29923869 | 0.73 | PDGFRB (0.42) | CCR1CCR5CCR8KDM4ENOS3 | |
| SCHEMBL24916137 | 0.73 | NSD2 (0.38) | CCR1CCR5CCR8KDM4ENOS3 | |
| SCHEMBL29923321 | 0.73 | NSD2 (0.38) | CCR1CCR5CCR8KDM4ENOS3 |
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 |