Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 3/20 | 0.38 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.36 |
| ▸ | LMNA | P02545 | 2/20 | 0.36 |
| ▸ | POLB | P06746 | 1/20 | 0.36 |
| ▸ | HTT | P42858 | 1/20 | 0.36 |
| ▸ | TP53 | P04637 | 2/20 | 0.35 |
| ▸ | STING1 | Q86WV6 | 1/20 | 0.35 |
| ▸ | AOC3 | Q16853 | 1/20 | 0.35 |
| ▸ | RORC | P51449 | 1/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.35 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.34 |
| ▸ | NPC1 | O15118 | 1/20 | 0.34 |
| ▸ | MAPT | P10636 | 1/20 | 0.34 |
| ▸ | RAB9A | P51151 | 1/20 | 0.34 |
| ▸ | CNR2 | P34972 | 1/20 | 0.34 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.33 |
| ▸ | S1PR1 | P21453 | 1/20 | 0.33 |
| ▸ | S1PR3 | Q99500 | 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 | |
|---|---|---|---|---|
| SCHEMBL22978620 | 1.00 | CYP1A2 (0.38) | CYP1A2CYP2D6SMN1; SMN2LMNAPOLB | |
| SCHEMBL22978645 | 0.83 | TP53 (0.35) | CYP1A2CYP2D6LMNAPOLBHTT | |
| SCHEMBL29743745 | 0.80 | PTGS1 (0.37) | HTTAOC3ALDH1A1S1PR1 | |
| SCHEMBL29743753 | 0.80 | PTGS1 (0.37) | HTTAOC3ALDH1A1S1PR1 | |
| SCHEMBL24510135 | 0.80 | PTGS1 (0.37) | HTTAOC3ALDH1A1S1PR1 | |
| SCHEMBL29743750 | 0.80 | PTGS1 (0.37) | HTTAOC3ALDH1A1S1PR1 | |
| SCHEMBL22978483 | 0.80 | PTGS1 (0.37) | HTTAOC3ALDH1A1S1PR1 | |
| SCHEMBL30525607 | 0.76 | KCNJ1 (0.45) | CYP1A2SMN1; SMN2LMNAALDH1A1S1PR1 | |
| SCHEMBL22990493 | 0.76 | KCNJ1 (0.45) | CYP1A2SMN1; SMN2LMNAALDH1A1S1PR1 | |
| SCHEMBL17894000 | 0.74 | AOC3 (0.41) | CYP1A2LMNAHTTAOC3RORC |
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 |