Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.43 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.39 |
| ▸ | MEN1 | O00255 | 2/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.38 |
| ▸ | DRD2 | P14416 | 1/20 | 0.36 |
| ▸ | HTR2A | P28223 | 1/20 | 0.36 |
| ▸ | HRH1 | P35367 | 1/20 | 0.36 |
| ▸ | NPC1 | O15118 | 1/20 | 0.36 |
| ▸ | RECQL | P46063 | 1/20 | 0.36 |
| ▸ | ADH1B | P00325 | 2/20 | 0.35 |
| ▸ | ADH1C | P00326 | 2/20 | 0.35 |
| ▸ | ADH1A | P07327 | 2/20 | 0.35 |
| ▸ | POLB | P06746 | 1/20 | 0.35 |
| ▸ | TLR7 | Q9NYK1 | 1/20 | 0.35 |
| ▸ | PIK3CD | O00329 | 1/20 | 0.33 |
| ▸ | PIK3CA | P42336 | 1/20 | 0.33 |
| ▸ | PIK3CB | P42338 | 1/20 | 0.33 |
| ▸ | PIK3CG | P48736 | 1/20 | 0.33 |
| ▸ | ADH7 | P40394 | 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 | |
|---|---|---|---|---|
| SCHEMBL7175958 | 0.79 | CCR4 (0.43) | SLC6A3ADORA2AALDH1A1MEN1KMT2A | |
| SCHEMBL7179725 | 0.79 | SLC6A3 (0.42) | SLC6A3ADORA2AALDH1A1MEN1KMT2A | |
| SCHEMBL902615 | 0.79 | SLC6A3 (0.44) | SLC6A3ADORA2AALDH1A1MEN1KMT2A | |
| SCHEMBL13541114 | 0.78 | SLC6A3 (0.41) | SLC6A3ADORA2AALDH1A1MEN1KMT2A | |
| SCHEMBL3361765 | 0.78 | SLC6A3 (0.39) | SLC6A3ADORA2AALDH1A1MEN1KMT2A | |
| SCHEMBL10039948 | 0.77 | KMT2A (0.49) | ALDH1A1MEN1KMT2ANPC1SMN1; SMN2 | |
| Hydrochloric Acid SCHEMBL6090064 | 0.77 | SLC6A3 (0.43) | SLC6A3ADORA2AALDH1A1MEN1KMT2A | |
| Hydrochloric Acid SCHEMBL16798712 | 0.77 | SLC6A3 (0.43) | SLC6A3ADORA2AALDH1A1MEN1KMT2A | |
| SCHEMBL7187137 | 0.77 | SLC6A3 (0.40) | SLC6A3ADORA2AALDH1A1MEN1KMT2A | |
| SCHEMBL28152375 | 0.77 | SLC6A3 (0.43) | SLC6A3ADORA2AALDH1A1MEN1KMT2A |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-115417829-A | Preparation method of ritonavir enantiomer | 武汉海特生物创新医药研究有限公司 | 2022-12-02 | — | — | CN | claimed |
| CN-115417829-A | Preparation method of ritonavir enantiomer | 武汉海特生物创新医药研究有限公司 | 2022-12-02 | — | — | CN | disclosed |
| CN-115417829-A | Preparation method of ritonavir enantiomer | 武汉海特生物创新医药研究有限公司 | 2022-12-02 | — | — | CN | disclosed |