Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | IRAK4 | Q9NWZ3 | 4/20 | 0.44 |
| ▸ | GAA | P10253 | 2/20 | 0.42 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.42 |
| ▸ | MEN1 | O00255 | 1/20 | 0.42 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.42 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.42 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.39 |
| ▸ | HTT | P42858 | 1/20 | 0.39 |
| ▸ | MAPK14 | Q16539 | 1/20 | 0.39 |
| ▸ | RAB9A | P51151 | 1/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.39 |
| ▸ | LY96 | Q9Y6Y9 | 1/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.38 |
| ▸ | ELANE | P08246 | 1/20 | 0.38 |
| ▸ | EPHB3 | P54753 | 2/20 | 0.38 |
| ▸ | MGLL | Q99685 | 1/20 | 0.37 |
| ▸ | MAPT | P10636 | 1/20 | 0.37 |
| ▸ | LMNA | P02545 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL21816279 | 0.80 | IRAK4 (0.47) | IRAK4GAANPSR1ALDH1A1HTT | |
| SCHEMBL9283382 | 0.79 | IRAK4 (0.46) | IRAK4GAANPSR1MAPK14MGLL | |
| SCHEMBL3606326 | 0.79 | IRAK4 (0.49) | IRAK4GAANPSR1ALDH1A1SMN1; SMN2 | |
| SCHEMBL13931952 | 0.78 | TUBB4A (0.49) | ALDH1A1KDM4E | |
| SCHEMBL9575507 | 0.76 | CTSD (0.51) | GAAALDH1A1HTTRAB9ASMN1; SMN2 | |
| SCHEMBL17873920 | 0.74 | DRD2 (0.52) | IRAK4MEN1KMT2AALDH1A1RAB9A | |
| SCHEMBL13952760 | 0.74 | TUBB4A (0.48) | ALDH1A1KDM4E | |
| SCHEMBL2059668 | 0.73 | KMT2A (0.50) | IRAK4GAANPSR1MEN1CYP1A2 | |
| SCHEMBL22777570 | 0.69 | EIF4A3 (0.45) | ALDH1A1MAPK14SMN1; SMN2ELANEEPHB3 | |
| SCHEMBL19044621 | 0.69 | NQO2 (0.38) | IRAK4GAANPSR1ALDH1A1HTT |
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-113387947-B | Pyrazolopyridine derivatives that modulate estrogen receptor synthesis activity | 中国科学院成都生物研究所 | 2022-07-01 | — | — | CN | disclosed |