Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.42 |
| ▸ | ITGB3 | P05106 | 3/20 | 0.42 |
| ▸ | ITGA2B | P08514 | 3/20 | 0.42 |
| ▸ | SLC6A2 | P23975 | 2/20 | 0.41 |
| ▸ | SLC6A4 | P31645 | 2/20 | 0.41 |
| ▸ | NME4 | O00746 | 2/20 | 0.40 |
| ▸ | GCDH | Q92947 | 2/20 | 0.40 |
| ▸ | SIRT5 | Q9NXA8 | 2/20 | 0.40 |
| ▸ | WDR5 | P61964 | 1/20 | 0.39 |
| ▸ | CA1 | P00915 | 1/20 | 0.39 |
| ▸ | CA2 | P00918 | 1/20 | 0.39 |
| ▸ | S1PR1 | P21453 | 1/20 | 0.39 |
| ▸ | PDE10A | Q9Y233 | 5/20 | 0.38 |
| ▸ | GCGR | P47871 | 3/20 | 0.38 |
| ▸ | GIPR | P48546 | 1/20 | 0.38 |
| ▸ | GCG | P01275 | 1/20 | 0.38 |
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 SCHEMBL8866066 | 0.95 | GCGR (0.40) | HRH3ITGB3ITGA2BSLC6A2SLC6A4 | |
| SCHEMBL8867544 | 0.90 | WDR5 (0.48) | ITGB3ITGA2BWDR5S1PR1PDE10A | |
| SCHEMBL8866200 | 0.84 | NME4 (0.40) | HRH3ITGB3ITGA2BNME4GCDH | |
| Trifluoroacetic Acid SCHEMBL8866836 | 0.79 | F11 (0.40) | WDR5PDE10A | |
| SCHEMBL8866873 | 0.78 | HRH3 (0.46) | HRH3ITGB3ITGA2BNME4GCDH | |
| SCHEMBL8866699 | 0.74 | WDR5 (0.48) | ITGB3ITGA2BWDR5S1PR1GCGR | |
| Trifluoroacetic Acid SCHEMBL8867220 | 0.73 | ITGB3 (0.42) | ITGB3ITGA2B | |
| SCHEMBL8867799 | 0.70 | ALDH1A1 (0.50) | HRH3NME4GCDHSIRT5CA1 | |
| SCHEMBL8866085 | 0.70 | ACACB (0.54) | — | |
| SCHEMBL9235389 | 0.68 | ALDH1A1 (0.53) | ITGB3ITGA2BNME4GCDHSIRT5 |
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 |