Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KCNA5 | P22460 | 5/20 | 0.36 |
| ▸ | SCN9A | Q15858 | 1/20 | 0.35 |
| ▸ | SLC6A9 | P48067 | 1/20 | 0.35 |
| ▸ | ITGB3 | P05106 | 1/20 | 0.34 |
| ▸ | ITGA2B | P08514 | 1/20 | 0.34 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.34 |
| ▸ | JAK2 | O60674 | 1/20 | 0.33 |
| ▸ | SYK | P43405 | 1/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 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 | |
|---|---|---|---|---|
| SCHEMBL9206903 | 0.85 | ALDH1A1 (0.43) | KDM4EALDH1A1 | |
| SCHEMBL5551311 | 0.80 | SLC6A9 (0.37) | SCN9ASLC6A9ITGB3ITGA2BHSD17B10 | |
| SCHEMBL9212767 | 0.80 | SLC6A9 (0.47) | SLC6A9ITGB3ITGA2BHSD17B10ALDH1A1 | |
| SCHEMBL9288230 | 0.79 | SLC6A9 (0.36) | SCN9ASLC6A9ITGB3ITGA2BHSD17B10 | |
| SCHEMBL9288210 | 0.79 | SLC6A9 (0.36) | SCN9ASLC6A9ITGB3ITGA2BHSD17B10 | |
| SCHEMBL9206799 | 0.77 | S1PR1 (0.39) | ITGB3ITGA2BJAK2SYKKDM4E | |
| SCHEMBL9273384 | 0.77 | SLC6A9 (0.35) | SCN9ASLC6A9ITGB3ITGA2BHSD17B10 | |
| SCHEMBL1394889 | 0.76 | SLC6A9 (0.42) | SLC6A9HSD17B10ALDH1A1 | |
| SCHEMBL18915193 | 0.75 | ADRB1 (0.40) | — | |
| SCHEMBL9205301 | 0.74 | EGLN1 (0.40) | SLC6A9HSD17B10KDM4EALDH1A1 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5403572-A | Macrocyclic polyaza compounds containing 5 or 6 membered rings, process for producing them and pharmaceutical media containing them | SCHERING AKTIENGESELLSCHAFT (DE) | 1995-04-04 | — | — | US | disclosed |
| US-5334371-A | Marcocyclic polyaza bicyclo compounds containing 5 or 6 membered rings, and method for MRI | SCHERING AKTIENGESELLSCHAFT (DE) | 1994-08-02 | — | — | US | disclosed |