Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ACHE | P22303 | 2/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.41 |
| ▸ | CCR1 | P32246 | 1/20 | 0.35 |
| ▸ | CCR5 | P51681 | 1/20 | 0.35 |
| ▸ | CCR8 | P51685 | 1/20 | 0.35 |
| ▸ | NOS3 | P29474 | 1/20 | 0.35 |
| ▸ | NOS1 | P29475 | 1/20 | 0.35 |
| ▸ | NOS2 | P35228 | 1/20 | 0.35 |
| ▸ | PDGFRB | P09619 | 6/20 | 0.35 |
| ▸ | PDGFRA | P16234 | 6/20 | 0.35 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.33 |
| ▸ | MEN1 | O00255 | 1/20 | 0.33 |
| ▸ | USP2 | O75604 | 1/20 | 0.33 |
| ▸ | POLB | P06746 | 1/20 | 0.33 |
| ▸ | MAPT | P10636 | 1/20 | 0.33 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.33 |
| ▸ | HPGD | P15428 | 1/20 | 0.33 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.33 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.33 |
| ▸ | CYP2C19 | P33261 | 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 | |
|---|---|---|---|---|
| SCHEMBL4373862 | 1.00 | ACHE (0.43) | ACHEALDH1A1CCR1CCR5CCR8 | |
| SCHEMBL21446936 | 0.80 | ALDH1A1 (0.43) | ALDH1A1PDGFRBPDGFRACYP3A4CYP2C9 | |
| SCHEMBL10084731 | 0.80 | ACHE (0.44) | ACHEALDH1A1CCR1CCR5CCR8 | |
| SCHEMBL24476817 | 0.78 | ALDH1A1 (0.41) | ALDH1A1CCR1CCR5CCR8PDGFRB | |
| SCHEMBL10084727 | 0.77 | ACHE (0.46) | ACHEALDH1A1CCR1CCR5CCR8 | |
| SCHEMBL29483025 | 0.77 | ALDH1A1 (0.40) | ALDH1A1MEN1POLBMAPTALOX12 | |
| SCHEMBL2118826 | 0.77 | ALDH1A1 (0.40) | ALDH1A1MEN1POLBMAPTALOX12 | |
| SCHEMBL117167 | 0.77 | ALDH1A1 (0.40) | ALDH1A1PDGFRBPDGFRAMEN1MAPT | |
| SCHEMBL19555271 | 0.77 | CYP3A4 (0.45) | ALDH1A1PDGFRBPDGFRACYP3A4MAPT | |
| SCHEMBL10112981 | 0.74 | ACHE (0.43) | ACHEALDH1A1CCR1CCR5CCR8 |
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-4010334-A1 | HETEROCYCLIC WDR5 INHIBITORS AS ANTI-CANCER COMPOUNDS | Novartis AG (CH) | 2022-06-15 | — | — | EP | disclosed |