Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.47 |
| ▸ | PIK3CD | O00329 | 1/20 | 0.41 |
| ▸ | SLC6A9 | P48067 | 1/20 | 0.35 |
| ▸ | ITGB3 | P05106 | 5/20 | 0.33 |
| ▸ | ITGA2B | P08514 | 5/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.32 |
| ▸ | ACE | P12821 | 1/20 | 0.32 |
| ▸ | MAPK11 | Q15759 | 1/20 | 0.32 |
| ▸ | MAPK14 | Q16539 | 1/20 | 0.32 |
| ▸ | S1PR1 | P21453 | 1/20 | 0.31 |
| ▸ | FOLH1 | Q04609 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL29946293 | 0.90 | PIK3CD (0.45) | HSD17B10PIK3CDACE | |
| Trifluoroacetic Acid SCHEMBL28956754 | 0.80 | PIK3CD (0.38) | HSD17B10PIK3CD | |
| SCHEMBL29946381 | 0.79 | HSD17B10 (0.43) | HSD17B10PIK3CDKDM4E | |
| SCHEMBL6848102 | 0.76 | HSD17B10 (0.64) | HSD17B10SLC6A9KDM4ES1PR1 | |
| Tetraxetan SCHEMBL18018 | 0.76 | HSD17B10 (0.64) | HSD17B10SLC6A9KDM4ES1PR1 | |
| Tetraxetan SCHEMBL2017956 | 0.76 | HSD17B10 (0.64) | HSD17B10SLC6A9KDM4ES1PR1 | |
| SCHEMBL321989 | 0.76 | HSD17B10 (0.64) | HSD17B10SLC6A9KDM4ES1PR1 | |
| SCHEMBL173508 | 0.76 | HSD17B10 (0.64) | HSD17B10SLC6A9KDM4ES1PR1 | |
| Tetraxetan SCHEMBL2635294 | 0.76 | HSD17B10 (0.64) | HSD17B10SLC6A9KDM4ES1PR1 | |
| SCHEMBL3660521 | 0.76 | — | — |
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 |