Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTR2A | P28223 | 1/20 | 0.53 |
| ▸ | HTR2C | P28335 | 1/20 | 0.53 |
| ▸ | KDM4E | B2RXH2 | 5/20 | 0.51 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.51 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.51 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.51 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.51 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.51 |
| ▸ | HPGD | P15428 | 4/20 | 0.51 |
| ▸ | LMNA | P02545 | 1/20 | 0.51 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.50 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.50 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.50 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.47 |
| ▸ | HTT | P42858 | 2/20 | 0.47 |
| ▸ | GLA | P06280 | 1/20 | 0.47 |
| ▸ | GAA | P10253 | 1/20 | 0.47 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.47 |
| ▸ | NQO2 | P16083 | 1/20 | 0.46 |
| ▸ | TSHR | P16473 | 2/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL3927394 | 0.87 | HTR2A (0.67) | HTR2AHTR2CKDM4EHSD17B10CYP1A2 | |
| SCHEMBL30223611 | 0.87 | HTR2A (0.67) | HTR2AHTR2CKDM4EHSD17B10CYP1A2 | |
| SCHEMBL15307679 | 0.86 | HTR2A (0.65) | HTR2AHTR2CKDM4EHSD17B10CYP1A2 | |
| SCHEMBL844491 | 0.84 | HTR2A (0.67) | HTR2AHTR2CKDM4EHSD17B10CYP1A2 | |
| SCHEMBL22879589 | 0.79 | CA1 (0.45) | KDM4EHSD17B10HPGDLMNAALDH1A1 | |
| SCHEMBL24119475 | 0.79 | CA1 (0.42) | HTR2AHTR2CKDM4EHSD17B10HPGD | |
| SCHEMBL10309072 | 0.78 | KDM4E (0.64) | HTR2AHTR2CKDM4EHSD17B10CYP1A2 | |
| SCHEMBL7428637 | 0.78 | HTR2A (0.51) | HTR2AHTR2CKDM4EHSD17B10CYP1A2 | |
| SCHEMBL11463080 | 0.77 | HTR2A (0.46) | HTR2AHTR2CKDM4EHSD17B10CYP1A2 | |
| SCHEMBL11454621 | 0.77 | HTR2A (0.50) | HTR2AHTR2CKDM4EHSD17B10CYP1A2 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2019161781-A1 | RECEPTOR ANTAGONIST, PHARMACEUTICAL COMPOSITION COMPRISING SAME, AND USAGE THEREOF | 北京泰德制药股份有限公司 | 2019-08-29 | — | — | WO | disclosed |