Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GSK3B | P49841 | 1/20 | 0.38 |
| ▸ | DDB1 | Q16531 | 2/20 | 0.34 |
| ▸ | CRBN | Q96SW2 | 2/20 | 0.34 |
| ▸ | RIPK1 | Q13546 | 2/20 | 0.34 |
| ▸ | IDH1 | O75874 | 7/20 | 0.34 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.34 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.33 |
| ▸ | BRD4 | O60885 | 1/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.32 |
| ▸ | DPP4 | P27487 | 1/20 | 0.32 |
| ▸ | IDO1 | P14902 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL29073421 | 0.79 | BRD4 (0.44) | BRD4IDO1 | |
| SCHEMBL29073368 | 0.77 | XIAP (0.31) | — | |
| SCHEMBL29073318 | 0.77 | GSK3B (0.32) | GSK3BIDH1ALDH1A1 | |
| SCHEMBL31213760 | 0.75 | GSK3B (0.41) | GSK3BDDB1CRBNRIPK1IDH1 | |
| SCHEMBL20278981 | 0.75 | GSK3B (0.41) | GSK3BDDB1CRBNRIPK1SMN1; SMN2 | |
| SCHEMBL4067691 | 0.75 | GSK3B (0.41) | GSK3BDDB1CRBNRIPK1SMN1; SMN2 | |
| SCHEMBL28704831 | 0.75 | ALDH1A1 (0.40) | SMN1; SMN2CYP1A2ALDH1A1IDO1 | |
| SCHEMBL28704834 | 0.75 | ALDH1A1 (0.40) | SMN1; SMN2CYP1A2ALDH1A1IDO1 | |
| Hydrochloric Acid SCHEMBL4073011 | 0.74 | GSK3B (0.40) | GSK3BDDB1CRBNRIPK1SMN1; SMN2 | |
| Hydrochloric Acid SCHEMBL28588732 | 0.74 | GSK3B (0.40) | GSK3BDDB1CRBNRIPK1SMN1; 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 |
|---|---|---|---|---|---|---|---|
| CN-116783165-A | 1,2,3, 4-tetrahydroquinoline derivatives as YAP/TAZ-TEAD activation inhibitors for the treatment of cancer | 天主教鲁汶大学 | 2023-09-19 | — | — | CN | disclosed |