Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA9 | Q16790 | 4/20 | 0.39 |
| ▸ | CA1 | P00915 | 3/20 | 0.39 |
| ▸ | CA2 | P00918 | 3/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 10/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 9/20 | 0.35 |
| ▸ | MAPT | P10636 | 4/20 | 0.35 |
| ▸ | HSD17B10 | Q99714 | 4/20 | 0.35 |
| ▸ | HTT | P42858 | 1/20 | 0.35 |
| ▸ | CA12 | O43570 | 1/20 | 0.34 |
| ▸ | HPGD | P15428 | 4/20 | 0.34 |
| ▸ | LMNA | P02545 | 3/20 | 0.34 |
| ▸ | GAA | P10253 | 2/20 | 0.33 |
| ▸ | GLA | P06280 | 1/20 | 0.33 |
| ▸ | CASP1 | P29466 | 1/20 | 0.33 |
| ▸ | CASP7 | P55210 | 1/20 | 0.33 |
| ▸ | ATM | Q13315 | 1/20 | 0.33 |
| ▸ | PLCG2 | P16885 | 1/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.33 |
| ▸ | NR4A2 | P43354 | 1/20 | 0.32 |
| ▸ | CFTR | P13569 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL8056963 | 0.82 | KDM4E (0.38) | CA9CA1CA2ALDH1A1KDM4E | |
| SCHEMBL8056361 | 0.79 | ALDH1A1 (0.33) | ALDH1A1KDM4EMAPTHSD17B10HTT | |
| SCHEMBL8057300 | 0.78 | CFTR (0.46) | CA9CA1CA2ALDH1A1KDM4E | |
| SCHEMBL8056470 | 0.78 | ALDH1A1 (0.34) | ALDH1A1KDM4EMAPTHSD17B10HTT | |
| SCHEMBL8057086 | 0.78 | ALDH1A1 (0.32) | CA9CA1CA2ALDH1A1KDM4E | |
| SCHEMBL8060886 | 0.76 | ALDH1A1 (0.33) | ALDH1A1KDM4EMAPTHSD17B10HTT | |
| SCHEMBL8057109 | 0.75 | ALDH1A1 (0.34) | CA9CA1CA2ALDH1A1KDM4E | |
| SCHEMBL8056207 | 0.75 | TSHR (0.33) | ALDH1A1KDM4EMAPTHSD17B10HTT | |
| SCHEMBL8058137 | 0.72 | ALDH1A1 (0.36) | CA9CA1CA2ALDH1A1KDM4E | |
| SCHEMBL8060681 | 0.72 | ALDH1A1 (0.32) | ALDH1A1KDM4EMAPTHSD17B10HTT |
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-6028069-A | Heterocyclyl-condensed benzoylguanidines, their production and use as inhibitors of the cellular Na+/H+-antiporter | MERCK PATENT GESELLSCHAFT MIT BERSCHRANKER HAFTUNG (DE) | 2000-02-22 | — | — | US | disclosed |