Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 8/20 | 0.39 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.33 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.33 |
| ▸ | TNNI3K | Q59H18 | 1/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.33 |
| ▸ | GAA | P10253 | 1/20 | 0.32 |
| ▸ | GLA | P06280 | 1/20 | 0.31 |
| ▸ | LMNA | P02545 | 1/20 | 0.31 |
| ▸ | VCAM1 | P19320 | 1/20 | 0.30 |
| ▸ | HPGD | P15428 | 1/20 | 0.30 |
| ▸ | BRD4 | O60885 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL20988067 | 0.75 | — | — | |
| SCHEMBL12050713 | 0.67 | — | — | |
| SCHEMBL22624887 | 0.67 | — | — | |
| SCHEMBL3479000 | 0.63 | ALDH1A1 (0.39) | ALDH1A1CYP2C9KDM4EMAPK1TNNI3K | |
| SCHEMBL11511836 | 0.62 | ALDH1A1 (0.83) | ALDH1A1CYP2C9KDM4EMAPK1SMN1; SMN2 | |
| SCHEMBL10464989 | 0.61 | L3MBTL1 (0.57) | ALDH1A1KDM4EMAPK1SMN1; SMN2GAA | |
| SCHEMBL27986093 | 0.60 | ALDH1A1 (0.44) | ALDH1A1CYP2C9KDM4ESMN1; SMN2GAA | |
| SCHEMBL25129257 | 0.60 | ALDH1A1 (0.44) | ALDH1A1CYP2C9SMN1; SMN2LMNA | |
| SCHEMBL3055959 | 0.60 | ALDH1A1 (0.70) | ALDH1A1CYP2C9KDM4EMAPK1SMN1; SMN2 | |
| SCHEMBL23275757 | 0.59 | ALDH1A1 (0.47) | ALDH1A1CYP2C9KDM4EMAPK1SMN1; SMN2 |
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-2021018195-A1 | NOVEL TRICYCLIC COMPOUNDS AS BCR-ABL INHIBITORS | ASCENTAGE PHARMA (SUZHOU) CO., LTD. (CN) | 2021-02-04 | — | — | WO | disclosed |