Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 7/20 | 0.45 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.45 |
| ▸ | GLA | P06280 | 3/20 | 0.45 |
| ▸ | GAA | P10253 | 2/20 | 0.45 |
| ▸ | HPGD | P15428 | 2/20 | 0.45 |
| ▸ | BAZ2B | Q9UIF8 | 1/20 | 0.45 |
| ▸ | BAZ2A | Q9UIF9 | 1/20 | 0.45 |
| ▸ | TSHR | P16473 | 3/20 | 0.42 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.42 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.42 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.42 |
| ▸ | CYP4F2 | P78329 | 1/20 | 0.42 |
| ▸ | CYP4A11 | Q02928 | 1/20 | 0.42 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.41 |
| ▸ | FNTA | P49354 | 1/20 | 0.40 |
| ▸ | FNTB | P49356 | 1/20 | 0.40 |
| ▸ | CA12 | O43570 | 2/20 | 0.40 |
| ▸ | CA1 | P00915 | 2/20 | 0.40 |
| ▸ | CA2 | P00918 | 2/20 | 0.40 |
| ▸ | CA7 | P43166 | 2/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL19964719 | 0.86 | KDM4E (0.49) | KDM4EALDH1A1GLAGAAHPGD | |
| SCHEMBL19964974 | 0.82 | KDM4E (0.44) | KDM4EALDH1A1GLAGAAHPGD | |
| SCHEMBL21113451 | 0.75 | KDM4E (0.40) | KDM4EALDH1A1GLAGAAHPGD | |
| SCHEMBL19964720 | 0.75 | EZH2 (0.41) | KDM4EALDH1A1GLAGAAHPGD | |
| SCHEMBL19964970 | 0.71 | HTT (0.42) | KDM4EALDH1A1GLAGAAHPGD | |
| SCHEMBL19964413 | 0.69 | KDM4E (0.48) | KDM4EALDH1A1GLAGAAHPGD | |
| SCHEMBL7104912 | 0.69 | KDM4E (0.51) | KDM4EALDH1A1GLAGAAHPGD | |
| SCHEMBL21342092 | 0.69 | KDM4E (0.47) | KDM4EALDH1A1GLAGAAHPGD | |
| SCHEMBL17331626 | 0.68 | ALDH1A1 (0.56) | KDM4EALDH1A1GLAGAAHPGD | |
| SCHEMBL1444977 | 0.68 | MAPK1 (0.46) | KDM4EALDH1A1GLAGAAHPGD |
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 |