Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.53 |
| ▸ | GAA | P10253 | 1/20 | 0.53 |
| ▸ | CTSL | P07711 | 1/20 | 0.52 |
| ▸ | CTSB | P07858 | 1/20 | 0.52 |
| ▸ | CTSK | P43235 | 1/20 | 0.52 |
| ▸ | TSHR | P16473 | 1/20 | 0.51 |
| ▸ | MEN1 | O00255 | 4/20 | 0.50 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.50 |
| ▸ | GPR55 | Q9Y2T6 | 2/20 | 0.48 |
| ▸ | EPHX1 | P07099 | 1/20 | 0.48 |
| ▸ | DPP4 | P27487 | 3/20 | 0.48 |
| ▸ | KCNH2 | Q12809 | 3/20 | 0.48 |
| ▸ | DPP7 | Q9UHL4 | 3/20 | 0.48 |
| ▸ | PKM | P14618 | 1/20 | 0.46 |
| ▸ | HTT | P42858 | 1/20 | 0.46 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.46 |
| ▸ | HSD11B1 | P28845 | 1/20 | 0.46 |
| ▸ | CA1 | P00915 | 1/20 | 0.45 |
| ▸ | CA2 | P00918 | 1/20 | 0.45 |
| ▸ | ACHE | P22303 | 1/20 | 0.45 |
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 | |
|---|---|---|---|---|
| SCHEMBL22191441 | 0.81 | ALDH1A1 (0.64) | ALDH1A1GAACTSLCTSBCTSK | |
| SCHEMBL24676789 | 0.80 | PKM (0.55) | ALDH1A1GAACTSLCTSBCTSK | |
| SCHEMBL24677036 | 0.79 | ALDH1A1 (0.58) | ALDH1A1GAACTSLCTSBCTSK | |
| SCHEMBL13402357 | 0.78 | ALDH1A1 (0.67) | ALDH1A1GAACTSLCTSBCTSK | |
| SCHEMBL381922 | 0.76 | ALDH1A1 (0.85) | ALDH1A1GAACTSLCTSBCTSK | |
| SCHEMBL3948456 | 0.76 | ALDH1A1 (0.85) | ALDH1A1GAACTSLCTSBCTSK | |
| SCHEMBL3948461 | 0.76 | ALDH1A1 (0.85) | ALDH1A1GAACTSLCTSBCTSK | |
| SCHEMBL1870932 | 0.75 | ALDH1A1 (0.67) | ALDH1A1GAACTSLCTSBCTSK | |
| Methoxyamine SCHEMBL5122725 | 0.75 | TSHR (0.75) | ALDH1A1GAACTSLCTSBCTSK | |
| SCHEMBL6901870 | 0.75 | CTSL (0.57) | ALDH1A1GAACTSLCTSBCTSK |
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-2022155941-A1 | CDK2 INHIBITORS | QILU REGOR THERAPEUTICS INC. (CN) | 2022-07-28 | — | — | WO | disclosed |