Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SLC18A3 | Q16572 | 7/20 | 0.52 |
| ▸ | KMO | O15229 | 1/20 | 0.49 |
| ▸ | SIGMAR1 | Q99720 | 2/20 | 0.47 |
| ▸ | CYP11B2 | P19099 | 1/20 | 0.46 |
| ▸ | CYP2D6 | P10635 | 3/20 | 0.44 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.44 |
| ▸ | TSHR | P16473 | 2/20 | 0.43 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.43 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.43 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.43 |
| ▸ | HDAC8 | Q9BY41 | 2/20 | 0.43 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.43 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.42 |
| ▸ | APEX1 | P27695 | 1/20 | 0.42 |
| ▸ | BLM | P54132 | 1/20 | 0.42 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.42 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| Phosphoric Acid SCHEMBL31184611 | 0.88 | KMO (0.53) | SLC18A3KMOSIGMAR1CYP11B2CYP2D6 | |
| Cyclohexane SCHEMBL11811100 | 0.87 | SLC18A3 (0.63) | SLC18A3KMOSIGMAR1CYP11B2CYP2D6 | |
| Benzene SCHEMBL11808437 | 0.87 | SLC18A3 (0.63) | SLC18A3KMOSIGMAR1CYP11B2CYP2D6 | |
| SCHEMBL447032 | 0.87 | SLC18A3 (0.63) | SLC18A3KMOSIGMAR1CYP11B2CYP2D6 | |
| SCHEMBL790829 | 0.87 | SLC18A3 (0.63) | SLC18A3KMOSIGMAR1CYP11B2CYP2D6 | |
| SCHEMBL11562787 | 0.87 | SLC18A3 (0.63) | SLC18A3KMOSIGMAR1CYP11B2CYP2D6 | |
| SCHEMBL30731352 | 0.87 | SLC18A3 (0.63) | SLC18A3KMOSIGMAR1CYP11B2CYP2D6 | |
| SCHEMBL19262690 | 0.87 | SLC18A3 (0.63) | SLC18A3KMOSIGMAR1CYP11B2CYP2D6 | |
| SCHEMBL19198566 | 0.87 | SLC18A3 (0.63) | SLC18A3KMOSIGMAR1CYP11B2CYP2D6 | |
| SCHEMBL42833 | 0.87 | SLC18A3 (0.63) | SLC18A3KMOSIGMAR1CYP11B2CYP2D6 |
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-109071457-A | Inhibitors of indoleamine 2, 3-dioxygenase | 荷兰转化研究中心有限责任公司 | 2018-12-21 | — | — | CN | disclosed |