Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CASP1 | P29466 | 7/20 | 0.49 |
| ▸ | ITGB3 | P05106 | 4/20 | 0.47 |
| ▸ | ITGA2B | P08514 | 4/20 | 0.47 |
| ▸ | CTSK | P43235 | 2/20 | 0.46 |
| ▸ | TACR1 | P25103 | 2/20 | 0.46 |
| ▸ | PRSS1 | P07477 | 1/20 | 0.46 |
| ▸ | PRSS2 | P07478 | 1/20 | 0.46 |
| ▸ | PRSS3 | P35030 | 1/20 | 0.46 |
| ▸ | TPSAB1 | Q15661 | 1/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL15275745 | 1.00 | CASP1 (0.49) | CASP1ITGB3ITGA2BCTSKTACR1 | |
| SCHEMBL1161865 | 1.00 | CASP1 (0.49) | CASP1ITGB3ITGA2BCTSKTACR1 | |
| SCHEMBL30306836 | 0.90 | CASP1 (0.51) | CASP1CTSKTACR1ALDH1A1 | |
| SCHEMBL29706702 | 0.88 | ITGB3 (0.54) | CASP1ITGB3ITGA2BCTSKTACR1 | |
| SCHEMBL17878707 | 0.88 | ITGB3 (0.54) | CASP1ITGB3ITGA2BCTSKTACR1 | |
| SCHEMBL27999741 | 0.87 | TGM2 (0.46) | CTSK | |
| SCHEMBL13386660 | 0.87 | TGM2 (0.46) | CTSK | |
| SCHEMBL27999738 | 0.87 | TGM2 (0.46) | CTSK | |
| Hydrochloric Acid SCHEMBL28816707 | 0.87 | CASP1 (0.48) | CASP1CTSKALDH1A1 | |
| SCHEMBL28836162 | 0.87 | ITGB3 (0.50) | CASP1ITGB3ITGA2BPRSS1PRSS2 |
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 |
|---|---|---|---|---|---|---|---|
| EP-2499148-A2 | CONFORMATIONALLY CONSTRAINED, FULLY SYNTHETIC MACROCYCLIC COMPOUNDS | Polyphor Ag (CH) | 2012-09-19 | — | — | EP | disclosed |
| WO-2011014973-A2 | CONFORMATIONALLY CONSTRAINED, FULLY SYNTHETIC MACROCYCLIC COMPOUNDS | POLYPHOR AG (CH) | 2011-02-10 | — | — | WO | disclosed |