Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2D6 | P10635 | 11/20 | 0.47 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.47 |
| ▸ | NEK2 | P51955 | 1/20 | 0.42 |
| ▸ | CYP2C9 | P11712 | 5/20 | 0.41 |
| ▸ | MEN1 | O00255 | 1/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.40 |
| ▸ | CYP3A4 | P08684 | 5/20 | 0.40 |
| ▸ | CYP1A2 | P05177 | 4/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.40 |
| ▸ | HIF1A | Q16665 | 2/20 | 0.40 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.40 |
| ▸ | USP2 | O75604 | 1/20 | 0.40 |
| ▸ | HPGD | P15428 | 1/20 | 0.40 |
| ▸ | CYP2C19 | P33261 | 4/20 | 0.39 |
| ▸ | TSHR | P16473 | 2/20 | 0.39 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.37 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL18049865 | 0.80 | CYP2D6 (0.46) | CYP2D6SMN1; SMN2NEK2CYP2C9MEN1 | |
| SCHEMBL13819915 | 0.80 | CYP2D6 (0.46) | CYP2D6SMN1; SMN2NEK2CYP2C9MEN1 | |
| SCHEMBL23345002 | 0.78 | CYP2D6 (0.44) | CYP2D6SMN1; SMN2NEK2CYP2C9MEN1 | |
| SCHEMBL13262732 | 0.75 | CYP2D6 (0.42) | CYP2D6SMN1; SMN2NEK2CYP2C9MEN1 | |
| SCHEMBL14417823 | 0.74 | CYP2D6 (0.44) | CYP2D6SMN1; SMN2NEK2CYP2C9MEN1 | |
| SCHEMBL19369386 | 0.74 | CYP2D6 (0.41) | CYP2D6SMN1; SMN2NEK2CYP2C9MEN1 | |
| SCHEMBL7603407 | 0.73 | CYP2D6 (0.47) | CYP2D6SMN1; SMN2NEK2CYP2C9MEN1 | |
| SCHEMBL15871711 | 0.72 | CYP2D6 (0.66) | CYP2D6SMN1; SMN2CYP2C9MEN1KMT2A | |
| SCHEMBL18049885 | 0.71 | CYP2D6 (0.46) | CYP2D6SMN1; SMN2NEK2CYP2C9MEN1 | |
| SCHEMBL18049884 | 0.71 | CYP2D6 (0.46) | CYP2D6SMN1; SMN2NEK2CYP2C9MEN1 |
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-2021018194-A1 | HETEROCYCLIC COMPOUNDS AS BCR-ABL INHIBITORS | ASCENTAGE PHARMA (SUZHOU) CO., LTD. (CN) | 2021-02-04 | — | — | WO | disclosed |