Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PARP1 | P09874 | 11/20 | 0.55 |
| ▸ | PARP10 | Q53GL7 | 7/20 | 0.55 |
| ▸ | PARP11 | Q9NR21 | 7/20 | 0.55 |
| ▸ | TRPM2 | O94759 | 1/20 | 0.50 |
| ▸ | ACHE | P22303 | 1/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.46 |
| ▸ | EGFR | P00533 | 1/20 | 0.46 |
| ▸ | RAF1 | P04049 | 1/20 | 0.46 |
| ▸ | MAPT | P10636 | 1/20 | 0.46 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.46 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.46 |
| ▸ | MAP2K1 | Q02750 | 1/20 | 0.46 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.46 |
| ▸ | PDPK1 | O15530 | 1/20 | 0.45 |
| ▸ | NSD2 | O96028 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL5468497 | 0.87 | PARP1 (0.51) | PARP1PARP10PARP11TRPM2ACHE | |
| SCHEMBL28241594 | 0.77 | DRD2 (0.49) | ALDH1A1EGFRRAF1MAPTALOX12 | |
| SCHEMBL21646391 | 0.76 | DRD2 (0.48) | ALDH1A1EGFRRAF1MAPTALOX12 | |
| SCHEMBL30843943 | 0.75 | CDK5 (0.50) | ALDH1A1 | |
| SCHEMBL2346037 | 0.75 | CDK5 (0.50) | ALDH1A1 | |
| SCHEMBL5073463 | 0.75 | PARP1 (0.64) | PARP1PARP10PARP11ACHEPDPK1 | |
| Hydrochloric Acid SCHEMBL28808104 | 0.74 | DRD2 (0.47) | ALDH1A1EGFRRAF1MAPTALOX12 | |
| SCHEMBL8230858 | 0.72 | MAPT (0.46) | ALDH1A1EGFRRAF1MAPTALOX12 | |
| SCHEMBL8231190 | 0.72 | POLB (0.47) | ALDH1A1EGFRRAF1MAPTALOX12 | |
| SCHEMBL8118685 | 0.71 | PARP1 (0.64) | PARP1PARP10PARP11ACHEPDPK1 |
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 |