Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 7/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.44 |
| ▸ | GAA | P10253 | 5/20 | 0.44 |
| ▸ | HPGD | P15428 | 3/20 | 0.44 |
| ▸ | GLA | P06280 | 2/20 | 0.44 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.41 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.41 |
| ▸ | TSHR | P16473 | 1/20 | 0.41 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.39 |
| ▸ | CA12 | O43570 | 2/20 | 0.39 |
| ▸ | CA1 | P00915 | 2/20 | 0.39 |
| ▸ | CA2 | P00918 | 2/20 | 0.39 |
| ▸ | CA7 | P43166 | 2/20 | 0.39 |
| ▸ | CA9 | Q16790 | 2/20 | 0.39 |
| ▸ | CA14 | Q9ULX7 | 2/20 | 0.39 |
| ▸ | NPC1 | O15118 | 2/20 | 0.39 |
| ▸ | POLB | P06746 | 1/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.39 |
| ▸ | BAZ2B | Q9UIF8 | 1/20 | 0.38 |
| ▸ | BAZ2A | Q9UIF9 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL19964413 | 0.87 | KDM4E (0.48) | KDM4EALDH1A1GAAHPGDGLA | |
| SCHEMBL19964530 | 0.83 | ALDH1A1 (0.46) | KDM4EALDH1A1GAAHPGDGLA | |
| SCHEMBL19964868 | 0.82 | KDM4E (0.45) | KDM4EALDH1A1GAAHPGDGLA | |
| SCHEMBL21156134 | 0.80 | KDM4E (0.47) | KDM4EALDH1A1GAAHPGDGLA | |
| SCHEMBL21113121 | 0.79 | ALDH1A1 (0.38) | KDM4EALDH1A1GAAHPGDGLA | |
| SCHEMBL21342366 | 0.79 | ALDH1A1 (0.37) | KDM4EALDH1A1GAAHPGDGLA | |
| SCHEMBL21113331 | 0.79 | SIRT2 (0.44) | KDM4EALDH1A1GAAHPGDGLA | |
| SCHEMBL19964604 | 0.79 | UCHL1 (0.42) | KDM4EALDH1A1GAAHPGDGLA | |
| SCHEMBL19964785 | 0.78 | HTT (0.50) | KDM4EALDH1A1GAAHPGDGLA | |
| SCHEMBL19964975 | 0.78 | ALDH1A1 (0.39) | KDM4EALDH1A1GAAHPGDGLA |
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 |