Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA2 | P00918 | 3/20 | 0.82 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.82 |
| ▸ | USP2 | O75604 | 2/20 | 0.82 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.82 |
| ▸ | LMNA | P02545 | 2/20 | 0.82 |
| ▸ | HPGD | P15428 | 2/20 | 0.82 |
| ▸ | HIF1A | Q16665 | 2/20 | 0.82 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.82 |
| ▸ | TSHR | P16473 | 1/20 | 0.82 |
| ▸ | BLM | P54132 | 1/20 | 0.82 |
| ▸ | SLC12A2 | P55011 | 1/20 | 0.82 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.82 |
| ▸ | AQP1 | P29972 | 1/20 | 0.60 |
| ▸ | PTGS2 | P35354 | 15/20 | 0.58 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.53 |
| ▸ | CA12 | O43570 | 2/20 | 0.41 |
| ▸ | CA1 | P00915 | 2/20 | 0.41 |
| ▸ | CA9 | Q16790 | 2/20 | 0.41 |
| ▸ | CA3 | P07451 | 1/20 | 0.41 |
| ▸ | CA6 | P23280 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL11456580 | 0.97 | KDM4E (0.80) | CA2KDM4EUSP2ALDH1A1LMNA | |
| Bumetanide SCHEMBL4425232 | 0.90 | KDM4E (1.00) | CA2KDM4EUSP2ALDH1A1LMNA | |
| Bumetanide SCHEMBL29388271 | 0.90 | KDM4E (1.00) | CA2KDM4EUSP2ALDH1A1LMNA | |
| SCHEMBL11464738 | 0.90 | CA2 (0.80) | CA2KDM4EUSP2ALDH1A1LMNA | |
| Bumetanide SCHEMBL27525 | 0.90 | KDM4E (1.00) | CA2KDM4EUSP2ALDH1A1LMNA | |
| Bumetanide SCHEMBL23455698 | 0.89 | KDM4E (0.98) | CA2KDM4EUSP2ALDH1A1LMNA | |
| SCHEMBL11840406 | 0.89 | KDM4E (0.94) | CA2KDM4EUSP2ALDH1A1LMNA | |
| Bumetanide SCHEMBL2255359 | 0.89 | KDM4E (0.98) | CA2KDM4EUSP2ALDH1A1LMNA | |
| Bumetanide SCHEMBL251062 | 0.89 | KDM4E (0.98) | CA2KDM4EUSP2ALDH1A1LMNA | |
| Bumetanide SCHEMBL6239781 | 0.89 | KDM4E (0.98) | CA2KDM4EUSP2ALDH1A1LMNA |
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 |
|---|---|---|---|---|---|---|---|
| US-3991097-A | BORON HYDRIDE OR METAL BOROHYDRIDES AS REDUCING AGENT, LEWIS ACID | HOECHST AKTIENGESELLSCHAFT (DT) | 1976-11-09 | — | — | US | disclosed |