Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SLC6A9 | P48067 | 1/20 | 0.47 |
| ▸ | CXCR4 | P61073 | 2/20 | 0.40 |
| ▸ | MAPK11 | Q15759 | 1/20 | 0.38 |
| ▸ | MAPK14 | Q16539 | 1/20 | 0.38 |
| ▸ | NPC1 | O15118 | 1/20 | 0.37 |
| ▸ | RAB9A | P51151 | 1/20 | 0.37 |
| ▸ | KMO | O15229 | 1/20 | 0.37 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.37 |
| ▸ | DRD2 | P14416 | 1/20 | 0.36 |
| ▸ | DRD4 | P21917 | 1/20 | 0.36 |
| ▸ | LMNA | P02545 | 1/20 | 0.35 |
| ▸ | MAPT | P10636 | 1/20 | 0.35 |
| ▸ | ITGB3 | P05106 | 1/20 | 0.35 |
| ▸ | ITGA2B | P08514 | 1/20 | 0.35 |
| ▸ | ATM | Q13315 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL5551311 | 0.84 | SLC6A9 (0.37) | SLC6A9HSD17B10DRD2ITGB3ITGA2B | |
| SCHEMBL9288230 | 0.83 | SLC6A9 (0.36) | SLC6A9HSD17B10ALDH1A1ITGB3ITGA2B | |
| SCHEMBL9288210 | 0.83 | SLC6A9 (0.36) | SLC6A9HSD17B10ALDH1A1ITGB3ITGA2B | |
| SCHEMBL9206903 | 0.80 | ALDH1A1 (0.43) | ALDH1A1LMNAMAPT | |
| SCHEMBL9273384 | 0.80 | SLC6A9 (0.35) | SLC6A9HSD17B10ALDH1A1MAPTITGB3 | |
| SCHEMBL9206799 | 0.80 | S1PR1 (0.39) | ALDH1A1MAPTITGB3ITGA2B | |
| SCHEMBL9273370 | 0.80 | KCNA5 (0.36) | SLC6A9HSD17B10ALDH1A1ITGB3ITGA2B | |
| SCHEMBL1394889 | 0.80 | SLC6A9 (0.42) | SLC6A9HSD17B10ALDH1A1MAPT | |
| SCHEMBL5556103 | 0.79 | ALDH1A1 (0.38) | CXCR4ALDH1A1DRD2 | |
| SCHEMBL9205301 | 0.78 | EGLN1 (0.40) | SLC6A9HSD17B10ALDH1A1MAPT |
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 4 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 |
| EP-0352218-B1 | Macrocyclic polyaza compounds containing rings with 5 or 6 members, methods for their preparation and pharmaceutical compositions containing same | SCHERING AG (DE) | 1995-02-22 | — | — | EP | 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 |
| EP-0352218-A2 | Macrocyclic polyaza compounds containing rings with 5 or 6 members, methods for their preparation and pharmaceutical compositions containing same | SCHERING AKTIENGESELLSCHAFT (DE) | 1990-01-24 | — | — | EP | disclosed |