Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.53 |
| ▸ | USP2 | O75604 | 1/20 | 0.53 |
| ▸ | HPGD | P15428 | 1/20 | 0.53 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.53 |
| ▸ | PIN1 | Q13526 | 1/20 | 0.41 |
| ▸ | MKNK1 | Q9BUB5 | 3/20 | 0.38 |
| ▸ | MKNK2 | Q9HBH9 | 3/20 | 0.38 |
| ▸ | PTPN1 | P18031 | 2/20 | 0.38 |
| ▸ | HCAR2 | Q8TDS4 | 1/20 | 0.35 |
| ▸ | ALPL | P05186 | 5/20 | 0.35 |
| ▸ | CA12 | O43570 | 3/20 | 0.35 |
| ▸ | NAPRT | Q6XQN6 | 1/20 | 0.34 |
| ▸ | RPA1 | P27694 | 1/20 | 0.34 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.33 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.33 |
| ▸ | BLM | P54132 | 1/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.33 |
| ▸ | TP53 | P04637 | 1/20 | 0.33 |
| ▸ | MAPK14 | Q16539 | 1/20 | 0.33 |
| ▸ | XDH | P47989 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL27645695 | 0.79 | MKNK1 (0.51) | KDM4EUSP2HPGDHSD17B10PIN1 | |
| Hydrochloric Acid SCHEMBL6336712 | 0.78 | MKNK1 (0.50) | KDM4EUSP2HPGDHSD17B10PIN1 | |
| SCHEMBL23390037 | 0.74 | KDM4E (0.54) | KDM4EUSP2HPGDHSD17B10PIN1 | |
| SCHEMBL9750144 | 0.74 | KDM4E (0.63) | KDM4EUSP2HPGDHSD17B10PIN1 | |
| SCHEMBL27666763 | 0.73 | KDM4E (0.62) | KDM4EUSP2HPGDHSD17B10PTPN1 | |
| SCHEMBL29621704 | 0.73 | KDM4E (0.53) | KDM4EUSP2HPGDHSD17B10PIN1 | |
| SCHEMBL8341738 | 0.72 | KDM4E (0.67) | KDM4EUSP2HPGDHSD17B10PIN1 | |
| Hydrochloric Acid SCHEMBL6343159 | 0.72 | KDM4E (0.61) | KDM4EUSP2HPGDHSD17B10PTPN1 | |
| SCHEMBL70048 | 0.71 | NFKB1 (0.57) | KDM4EUSP2HPGDHSD17B10PIN1 | |
| SCHEMBL23416987 | 0.71 | KDM4E (0.50) | KDM4EUSP2HPGDHSD17B10SMN1; SMN2 |
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-107235975-B | The synthetic method of tert-butyl 6- benzyl -4- oxygen subunit octahydro -1H- pyrrolo- [3,4-b] picolinic acid ester | 天津药明康德新药开发有限公司 | 2019-04-30 | — | — | CN | disclosed |