Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2D6 | P10635 | 6/20 | 0.77 |
| ▸ | CYP2C19 | P33261 | 5/20 | 0.77 |
| ▸ | CYP1A2 | P05177 | 4/20 | 0.77 |
| ▸ | CYP2C9 | P11712 | 3/20 | 0.77 |
| ▸ | TSHR | P16473 | 3/20 | 0.55 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.42 |
| ▸ | TACR1 | P25103 | 2/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.38 |
| ▸ | GAA | P10253 | 2/20 | 0.38 |
| ▸ | HTT | P42858 | 2/20 | 0.38 |
| ▸ | XBP1 | P17861 | 1/20 | 0.38 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.38 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.38 |
| ▸ | PABPC1 | P11940 | 1/20 | 0.37 |
| ▸ | CCR2 | P41597 | 3/20 | 0.36 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.34 |
| ▸ | MAPT | P10636 | 1/20 | 0.33 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.33 |
| ▸ | CTSB | P07858 | 1/20 | 0.33 |
| ▸ | SSTR3 | P32745 | 2/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL20979191 | 1.00 | CYP2D6 (0.77) | CYP2D6CYP2C19CYP1A2CYP2C9TSHR | |
| SCHEMBL663757 | 0.87 | CYP2C19 (0.59) | CYP2D6CYP2C19CYP1A2CYP2C9TSHR | |
| SCHEMBL1881392 | 0.87 | CYP2C19 (0.59) | CYP2D6CYP2C19CYP1A2CYP2C9TSHR | |
| SCHEMBL5673666 | 0.87 | CYP2C19 (0.59) | CYP2D6CYP2C19CYP1A2CYP2C9TSHR | |
| SCHEMBL663756 | 0.87 | CYP2C19 (0.59) | CYP2D6CYP2C19CYP1A2CYP2C9TSHR | |
| SCHEMBL30874729 | 0.86 | CYP2C19 (0.58) | CYP2D6CYP2C19CYP1A2CYP2C9TSHR | |
| SCHEMBL8783194 | 0.86 | CYP2C19 (0.58) | CYP2D6CYP2C19CYP1A2CYP2C9TSHR | |
| SCHEMBL10040348 | 0.84 | CYP2C19 (0.56) | CYP2D6CYP2C19CYP1A2CYP2C9TSHR | |
| SCHEMBL30505546 | 0.82 | CYP2C19 (0.54) | CYP2D6CYP2C19CYP1A2CYP2C9TSHR | |
| SCHEMBL20810419 | 0.82 | CYP2D6 (0.54) | CYP2D6CYP2C19CYP1A2CYP2C9TSHR |
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-3707242-B1 | COMPOUNDS FOR USE IN THE ELIMINATION OF PLURIPOTENT STEM CELLS | UNIV KOELN (DE) | 2022-05-18 | — | — | EP | disclosed |