Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.46 |
| ▸ | SIRT5 | Q9NXA8 | 3/20 | 0.42 |
| ▸ | NME4 | O00746 | 2/20 | 0.42 |
| ▸ | GCDH | Q92947 | 2/20 | 0.42 |
| ▸ | S1PR1 | P21453 | 1/20 | 0.41 |
| ▸ | DPP4 | P27487 | 1/20 | 0.40 |
| ▸ | GCGR | P47871 | 7/20 | 0.40 |
| ▸ | GIPR | P48546 | 2/20 | 0.40 |
| ▸ | CA1 | P00915 | 1/20 | 0.39 |
| ▸ | CA2 | P00918 | 1/20 | 0.39 |
| ▸ | ITGB3 | P05106 | 1/20 | 0.38 |
| ▸ | ITGA2B | P08514 | 1/20 | 0.38 |
| ▸ | GCG | P01275 | 2/20 | 0.38 |
| ▸ | WDR5 | P61964 | 1/20 | 0.38 |
| ▸ | GLP1R | P43220 | 1/20 | 0.37 |
| ▸ | DGAT1 | O75907 | 1/20 | 0.37 |
| ▸ | HPGDS | O60760 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL8866637 | 0.79 | WDR5 (0.42) | HRH3WDR5 | |
| Trifluoroacetic Acid SCHEMBL8867001 | 0.79 | DPP4 (0.37) | HRH3DPP4GCGRGIPRITGB3 | |
| SCHEMBL8866031 | 0.78 | HRH3 (0.42) | HRH3SIRT5NME4GCDHS1PR1 | |
| SCHEMBL8866200 | 0.78 | NME4 (0.40) | HRH3SIRT5NME4GCDHS1PR1 | |
| SCHEMBL8866762 | 0.77 | NPC1 (0.37) | WDR5HPGDS | |
| SCHEMBL9229561 | 0.76 | ACACB (0.41) | HRH3DPP4 | |
| Trifluoroacetic Acid SCHEMBL8866066 | 0.74 | GCGR (0.40) | HRH3GCGRGIPRITGB3ITGA2B | |
| SCHEMBL8867512 | 0.74 | GBA1 (0.34) | ITGB3ITGA2BWDR5 | |
| Trifluoroacetic Acid SCHEMBL8866732 | 0.71 | WDR5 (0.42) | DPP4WDR5HPGDS | |
| SCHEMBL8866094 | 0.70 | 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 2 patents. 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 |
| EP-0668278-A1 | Adhesion receptor antagonists | MERCK PATENT GmbH (DE) | 1995-08-23 | — | — | EP | disclosed |