Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SLC7A5 | Q01650 | 1/20 | 0.47 |
| ▸ | AKR1C3 | P42330 | 2/20 | 0.42 |
| ▸ | AKR1C2 | P52895 | 2/20 | 0.42 |
| ▸ | PDK1 | Q15118 | 1/20 | 0.39 |
| ▸ | PDK2 | Q15119 | 1/20 | 0.39 |
| ▸ | PDK3 | Q15120 | 1/20 | 0.39 |
| ▸ | PDK4 | Q16654 | 1/20 | 0.39 |
| ▸ | POLB | P06746 | 2/20 | 0.38 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.38 |
| ▸ | CNR2 | P34972 | 1/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.37 |
| ▸ | LMNA | P02545 | 1/20 | 0.37 |
| ▸ | SLC1A2 | P43004 | 1/20 | 0.37 |
| ▸ | AKR1B10 | O60218 | 1/20 | 0.37 |
| ▸ | AKR1B1 | P15121 | 1/20 | 0.37 |
| ▸ | AKR1C4 | P17516 | 1/20 | 0.37 |
| ▸ | AKR1C1 | Q04828 | 1/20 | 0.37 |
| ▸ | MEN1 | O00255 | 1/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| Valine SCHEMBL2992340 | 0.89 | SLC7A5 (0.48) | SLC7A5AKR1C3AKR1C2POLBCYP2C19 | |
| SCHEMBL522766 | 0.83 | AKR1C3 (0.50) | AKR1C3AKR1C2PDK1PDK2PDK3 | |
| SCHEMBL27900539 | 0.83 | AKR1C3 (0.50) | AKR1C3AKR1C2PDK1PDK2PDK3 | |
| Hydrazine SCHEMBL28121229 | 0.81 | AKR1C3 (0.49) | AKR1C3AKR1C2PDK1PDK2PDK3 | |
| Valine SCHEMBL8693536 | 0.79 | SLC7A5 (0.52) | SLC7A5CYP2C19ALDH1A1KDM4ESLC1A2 | |
| Valine SCHEMBL7706957 | 0.78 | SLC7A5 (0.56) | SLC7A5POLBCYP2C19ALDH1A1LMNA | |
| Valine SCHEMBL5940586 | 0.78 | SIRT2 (0.54) | SLC7A5POLBCYP2C19ALDH1A1KDM4E | |
| Acetophenone SCHEMBL10591742 | 0.76 | SLC7A5 (0.58) | SLC7A5ALDH1A1LMNASLC1A2 | |
| Acrylic Acid SCHEMBL28239982 | 0.76 | AKR1C3 (0.45) | AKR1C3AKR1C2PDK1PDK2PDK3 | |
| SCHEMBL11195590 | 0.74 | ALDH1A1 (0.46) | AKR1C3AKR1C2PDK1PDK2PDK3 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-100352470-C | Chinese medicinal preparation for replenishing qi and blood and preparation method thereof | GUIZHOU YIBAI PHARMACEUTICAL (CN) | 2007-12-05 | — | — | CN | disclosed |
| CN-1839998-A | Chinese medicinal preparation for replenishing qi and blood and preparation method thereof | GUIZHOU YIBAI PHARMACEUTICAL (CN) | 2006-10-04 | — | — | CN | disclosed |