Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.44 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.44 |
| ▸ | AGPAT2 | O15120 | 8/20 | 0.41 |
| ▸ | IDO1 | P14902 | 3/20 | 0.41 |
| ▸ | RECQL | P46063 | 1/20 | 0.41 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.40 |
| ▸ | HSP90AB1 | P08238 | 1/20 | 0.40 |
| ▸ | DYRK3 | O43781 | 1/20 | 0.39 |
| ▸ | CCNA2 | P20248 | 1/20 | 0.39 |
| ▸ | CDK2 | P24941 | 1/20 | 0.39 |
| ▸ | CDK5 | Q00535 | 1/20 | 0.39 |
| ▸ | DYRK1A | Q13627 | 1/20 | 0.39 |
| ▸ | CDK5R1 | Q15078 | 1/20 | 0.39 |
| ▸ | DYRK2 | Q92630 | 1/20 | 0.39 |
| ▸ | DYRK1B | Q9Y463 | 1/20 | 0.39 |
| ▸ | MAT2A | P31153 | 1/20 | 0.38 |
| ▸ | MEN1 | O00255 | 1/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL24633473 | 0.77 | ALDH1A1 (0.34) | ALDH1A1KDM4EAGPAT2RECQLMAT2A | |
| SCHEMBL24633475 | 0.74 | F11 (0.45) | — | |
| SCHEMBL30656600 | 0.74 | ALDH1A1 (0.43) | ALDH1A1KDM4EAGPAT2IDO1RECQL | |
| SCHEMBL24633470 | 0.72 | NOTUM (0.40) | — | |
| SCHEMBL30540174 | 0.70 | S100A4 (0.47) | ALDH1A1MAT2AMEN1KMT2A | |
| SCHEMBL26635260 | 0.70 | S100A4 (0.47) | ALDH1A1MAT2AMEN1KMT2A | |
| SCHEMBL22127105 | 0.68 | ALDH1A1 (0.44) | ALDH1A1KDM4EAGPAT2RECQLHSP90AA1 | |
| SCHEMBL16971624 | 0.68 | IDO1 (0.42) | ALDH1A1KDM4EAGPAT2IDO1RECQL | |
| SCHEMBL20339204 | 0.68 | ALDH1A1 (0.51) | ALDH1A1KDM4EAGPAT2RECQLHSP90AA1 | |
| SCHEMBL20339056 | 0.68 | ALDH1A1 (0.51) | ALDH1A1KDM4EAGPAT2RECQLMEN1 |
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-2022222960-A1 | FXIA INHIBITOR AND PHARMACEUTICAL COMPOSITION, PREPARATION METHOD AND USE THEREOF | 上海美悦生物科技发展有限公司 | 2022-10-27 | — | — | WO | disclosed |