Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 5/20 | 0.37 |
| ▸ | CYP2D6 | P10635 | 3/20 | 0.37 |
| ▸ | CYP2C19 | P33261 | 3/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.36 |
| ▸ | LMNA | P02545 | 1/20 | 0.36 |
| ▸ | HTT | P42858 | 1/20 | 0.36 |
| ▸ | AOC3 | Q16853 | 1/20 | 0.35 |
| ▸ | RORC | P51449 | 1/20 | 0.35 |
| ▸ | ENPP1 | P22413 | 1/20 | 0.35 |
| ▸ | S1PR1 | P21453 | 2/20 | 0.34 |
| ▸ | NPC1 | O15118 | 1/20 | 0.34 |
| ▸ | TP53 | P04637 | 1/20 | 0.34 |
| ▸ | MAPT | P10636 | 1/20 | 0.34 |
| ▸ | RAB9A | P51151 | 1/20 | 0.34 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.34 |
| ▸ | S1PR3 | Q99500 | 1/20 | 0.34 |
| ▸ | CNR2 | P34972 | 2/20 | 0.34 |
| ▸ | AGPAT2 | O15120 | 1/20 | 0.33 |
| ▸ | CYP3A4 | P08684 | 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 | |
|---|---|---|---|---|
| SCHEMBL22978481 | 0.80 | S1PR1 (0.34) | ALDH1A1HTTAOC3S1PR1S1PR3 | |
| SCHEMBL17894000 | 0.74 | AOC3 (0.41) | CYP1A2CYP2C19KDM4EALDH1A1LMNA | |
| SCHEMBL29698385 | 0.74 | AOC3 (0.41) | CYP1A2CYP2C19KDM4EALDH1A1LMNA | |
| SCHEMBL172311 | 0.73 | AOC3 (0.40) | CYP1A2CYP2D6CYP2C19KDM4EALDH1A1 | |
| SCHEMBL15527815 | 0.72 | AOC3 (0.43) | CYP1A2CYP2C19KDM4EALDH1A1LMNA | |
| SCHEMBL10584255 | 0.70 | NPC1 (0.40) | KDM4EALDH1A1NPC1MAPTRAB9A | |
| SCHEMBL22978620 | 0.70 | CYP1A2 (0.38) | CYP1A2CYP2D6CYP2C19KDM4EALDH1A1 | |
| SCHEMBL22980867 | 0.70 | CYP3A4 (0.46) | ALDH1A1LMNAHTTRORCCNR2 | |
| SCHEMBL17893983 | 0.70 | CNR2 (0.44) | LMNAHTTRORCCNR2 | |
| SCHEMBL29698237 | 0.70 | CYP1A2 (0.38) | CYP1A2CYP2D6CYP2C19KDM4EALDH1A1 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2021026672-A1 | HETEROCYCLIC WDR5 INHIBITORS AS ANTI-CANCER COMPOUNDS | NOVARTIS AG (CH) | 2021-02-18 | — | — | WO | disclosed |