Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.48 |
| ▸ | KDM4E | B2RXH2 | 5/20 | 0.48 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.48 |
| ▸ | TSHR | P16473 | 2/20 | 0.35 |
| ▸ | GRM2 | Q14416 | 1/20 | 0.34 |
| ▸ | GFER | P55789 | 1/20 | 0.33 |
| ▸ | MAPK14 | Q16539 | 1/20 | 0.32 |
| ▸ | POLB | P06746 | 1/20 | 0.32 |
| ▸ | GAA | P10253 | 1/20 | 0.32 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.31 |
| ▸ | LMNA | P02545 | 1/20 | 0.31 |
| ▸ | HPGD | P15428 | 1/20 | 0.31 |
| ▸ | HTT | P42858 | 1/20 | 0.31 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.30 |
| ▸ | HTR7 | P34969 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL19964859 | 0.81 | GFER (0.41) | ALDH1A1KDM4ETSHRGRM2GFER | |
| SCHEMBL19964420 | 0.79 | GRM2 (0.43) | ALDH1A1KDM4EGRM2GFERLMNA | |
| SCHEMBL21342369 | 0.69 | — | — | |
| SCHEMBL27898117 | 0.64 | ALDH1A1 (0.43) | ALDH1A1MAPK1TSHRHPGD | |
| SCHEMBL27763812 | 0.63 | BACE1 (0.37) | ALDH1A1KDM4ETSHRLMNAHPGD | |
| SCHEMBL8759097 | 0.62 | ALDH1A1 (0.42) | ALDH1A1MAPK1TSHRHPGD | |
| SCHEMBL19964543 | 0.62 | — | — | |
| Biphenyl SCHEMBL8734478 | 0.61 | ALDH1A1 (0.50) | ALDH1A1MAPK1TSHRSMN1; SMN2HPGD | |
| SCHEMBL1024640 | 0.61 | PDCD1 (0.46) | HTR7 | |
| SCHEMBL20937641 | 0.60 | KDM4E (0.46) | ALDH1A1KDM4EMAPK1POLBGAA |
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-2018045971-A1 | PYRIDO FIVE-ELEMENT AROMATIC RING COMPOUND, PREPARATION METHOD THEREFOR AND USE THEREOF | 上海海和药物研究开发有限公司 | 2018-03-15 | — | — | WO | disclosed |