Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | IDO1 | P14902 | 5/20 | 0.47 |
| ▸ | TDO2 | P48775 | 5/20 | 0.47 |
| ▸ | DRD4 | P21917 | 1/20 | 0.34 |
| ▸ | RXRA | P19793 | 1/20 | 0.33 |
| ▸ | GRIN1 | Q05586 | 1/20 | 0.33 |
| ▸ | GRIN2B | Q13224 | 1/20 | 0.33 |
| ▸ | ACP3 | P15309 | 1/20 | 0.32 |
| ▸ | PPARG | P37231 | 2/20 | 0.32 |
| ▸ | CASR | P41180 | 2/20 | 0.32 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.32 |
| ▸ | COMT | P21964 | 1/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL31013537 | 0.75 | ALDH1A1 (0.46) | DRD4COMTALDH1A1 | |
| SCHEMBL28111157 | 0.75 | HTT (0.34) | IDO1TDO2DRD4ACP3PPARG | |
| SCHEMBL10654262 | 0.72 | IDO1 (0.48) | IDO1TDO2 | |
| SCHEMBL28102822 | 0.70 | HSP90AA1 (0.42) | KDM4EALDH1A1 | |
| SCHEMBL28111192 | 0.65 | CASR (0.37) | ACP3CASRKDM4E | |
| SCHEMBL28199860 | 0.63 | CA2 (0.35) | ALDH1A1 | |
| SCHEMBL28121740 | 0.61 | TSHR (0.52) | ALDH1A1 | |
| SCHEMBL6140430 | 0.60 | IDO1 (0.65) | IDO1TDO2ACP3ALDH1A1 | |
| SCHEMBL28330130 | 0.60 | MIF (0.41) | RXRAGRIN1GRIN2B | |
| SCHEMBL11937825 | 0.59 | KDM4E (0.59) | KDM4EALDH1A1 |
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-106257976-A | Human plasma kallikrein inhibitors | 拜奥克里斯特制药公司 | 2016-12-28 | — | — | CN | disclosed |