Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA2 | P00918 | 3/20 | 0.75 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.75 |
| ▸ | USP2 | O75604 | 2/20 | 0.75 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.75 |
| ▸ | LMNA | P02545 | 2/20 | 0.75 |
| ▸ | HPGD | P15428 | 2/20 | 0.75 |
| ▸ | HIF1A | Q16665 | 2/20 | 0.75 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.75 |
| ▸ | TSHR | P16473 | 1/20 | 0.75 |
| ▸ | BLM | P54132 | 1/20 | 0.75 |
| ▸ | SLC12A2 | P55011 | 1/20 | 0.75 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.75 |
| ▸ | AQP1 | P29972 | 1/20 | 0.55 |
| ▸ | PTGS2 | P35354 | 11/20 | 0.54 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.53 |
| ▸ | AKR1C3 | P42330 | 1/20 | 0.44 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.44 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.44 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.44 |
| ▸ | CA1 | P00915 | 2/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL9737278 | 0.91 | CA2 (0.68) | CA2KDM4EUSP2ALDH1A1LMNA | |
| SCHEMBL11789242 | 0.89 | CA2 (0.71) | CA2KDM4EUSP2ALDH1A1LMNA | |
| SCHEMBL10829423 | 0.89 | CA2 (0.78) | CA2KDM4EUSP2ALDH1A1LMNA | |
| SCHEMBL11841124 | 0.88 | KDM4E (0.88) | CA2KDM4EUSP2ALDH1A1LMNA | |
| Bumetanide SCHEMBL251378 | 0.87 | KDM4E (0.85) | CA2KDM4EUSP2ALDH1A1LMNA | |
| SCHEMBL11788902 | 0.87 | CA2 (0.82) | CA2KDM4EUSP2ALDH1A1LMNA | |
| SCHEMBL11789130 | 0.87 | KDM4E (0.78) | CA2KDM4EUSP2ALDH1A1LMNA | |
| Bumetanide SCHEMBL4425232 | 0.86 | KDM4E (1.00) | CA2KDM4EUSP2ALDH1A1LMNA | |
| SCHEMBL11446031 | 0.86 | CA2 (0.77) | CA2KDM4EUSP2ALDH1A1LMNA | |
| Bumetanide SCHEMBL27525 | 0.86 | KDM4E (1.00) | 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 |