Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | DPP4 | P27487 | 1/20 | 0.37 |
| ▸ | DPP7 | Q9UHL4 | 1/20 | 0.37 |
| ▸ | HPGDS | O60760 | 1/20 | 0.37 |
| ▸ | RORC | P51449 | 1/20 | 0.36 |
| ▸ | WDR5 | P61964 | 3/20 | 0.36 |
| ▸ | CHEK1 | O14757 | 1/20 | 0.36 |
| ▸ | RPS6KB1 | P23443 | 3/20 | 0.36 |
| ▸ | AKT1 | P31749 | 3/20 | 0.36 |
| ▸ | ITGB3 | P05106 | 4/20 | 0.36 |
| ▸ | ITGA2B | P08514 | 4/20 | 0.36 |
| ▸ | GNA11 | P29992 | 2/20 | 0.35 |
| ▸ | GNAQ | P50148 | 2/20 | 0.35 |
| ▸ | F11 | P03951 | 1/20 | 0.35 |
| ▸ | KLKB1 | P03952 | 1/20 | 0.35 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.34 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.34 |
| ▸ | NPC1 | O15118 | 1/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.34 |
| ▸ | LMNA | P02545 | 1/20 | 0.34 |
| ▸ | HTT | P42858 | 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 | |
|---|---|---|---|---|
| Trifluoroacetic Acid SCHEMBL8866732 | 0.90 | WDR5 (0.42) | DPP4DPP7HPGDSWDR5GNA11 | |
| SCHEMBL8866762 | 0.79 | NPC1 (0.37) | HPGDSWDR5CHEK1GNA11GNAQ | |
| SCHEMBL8866637 | 0.77 | WDR5 (0.42) | RORCWDR5KLKB1HRH3 | |
| Trifluoroacetic Acid SCHEMBL8866264 | 0.77 | F11 (0.39) | DPP4DPP7WDR5CHEK1F11 | |
| Trifluoroacetic Acid SCHEMBL8866836 | 0.77 | F11 (0.40) | DPP4DPP7HPGDSWDR5CHEK1 | |
| SCHEMBL8867512 | 0.76 | GBA1 (0.34) | WDR5CHEK1ITGB3ITGA2BNPC1 | |
| SCHEMBL8866617 | 0.75 | ACACB (0.51) | — | |
| SCHEMBL8866642 | 0.75 | RPS6KB1 (0.37) | WDR5CHEK1RPS6KB1AKT1ITGB3 | |
| SCHEMBL8866110 | 0.71 | ACACB (0.41) | WDR5GNA11GNAQHRH3KDM4E | |
| SCHEMBL8866094 | 0.71 | ACACB (0.45) | — |
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-5614531-A | Adhesion receptor antagonists | MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) | 1997-03-25 | — | — | US | disclosed |