Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTT | P42858 | 1/20 | 0.39 |
| ▸ | HTR1A | P08908 | 1/20 | 0.39 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.39 |
| ▸ | DRD1 | P21728 | 1/20 | 0.39 |
| ▸ | TBXA2R | P21731 | 1/20 | 0.39 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.39 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.39 |
| ▸ | DRD3 | P35462 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.38 |
| ▸ | HPGD | P15428 | 1/20 | 0.38 |
| ▸ | POLB | P06746 | 1/20 | 0.37 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.37 |
| ▸ | MTNR1A | P48039 | 1/20 | 0.37 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.37 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.37 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.37 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.37 |
| ▸ | DRD2 | P14416 | 1/20 | 0.37 |
| ▸ | ALOX5 | P09917 | 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 | |
|---|---|---|---|---|
| SCHEMBL1450868 | 1.00 | HTT (0.39) | HTTHTR1AADRA2ADRD1TBXA2R | |
| SCHEMBL2879942 | 0.93 | ADRA2A (0.39) | HTTHTR1AADRA2ADRD1TBXA2R | |
| SCHEMBL1874665 | 0.81 | POLB (0.52) | HTR1AADRA2AADRA1ADRD3ALDH1A1 | |
| SCHEMBL1876029 | 0.80 | CA2 (0.45) | ADRA1AALDH1A1HPGDPOLBESR2 | |
| SCHEMBL1078455 | 0.80 | HTR6 (0.48) | ADRA1ADRD3ALDH1A1HPGDPOLB | |
| SCHEMBL1044197 | 0.77 | POLB (0.55) | ADRA1AALDH1A1HPGDPOLBESR2 | |
| SCHEMBL1879351 | 0.77 | ADRA2A (0.61) | HTR1AADRA2AADRA1ADRD2 | |
| SCHEMBL1044563 | 0.77 | LMNA (0.40) | HTTADRA1AALDH1A1HPGDPOLB | |
| SCHEMBL1043927 | 0.77 | ADRA2A (0.65) | HTR1AADRA2AADRA1AALDH1A1DRD2 | |
| SCHEMBL407539 | 0.77 | ADRA2A (0.60) | HTTHTR1AADRA2ADRD1TBXA2R |
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-110092774-B | Aromatic propionic acid derivative, preparation method and application thereof | 中国科学院上海药物研究所 | 2022-04-08 | — | — | CN | disclosed |