Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ITGB3 | P05106 | 11/20 | 0.38 |
| ▸ | ITGA2B | P08514 | 11/20 | 0.38 |
| ▸ | ITGAV | P06756 | 9/20 | 0.38 |
| ▸ | FAAH | O00519 | 2/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.34 |
| ▸ | NOD1 | Q9Y239 | 3/20 | 0.33 |
| ▸ | PPARG | P37231 | 1/20 | 0.33 |
| ▸ | SLC6A5 | Q9Y345 | 2/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL7982805 | 0.87 | ITGB3 (0.49) | ITGB3ITGA2BITGAV | |
| SCHEMBL7439842 | 0.85 | ITGB3 (0.39) | ITGB3ITGA2BITGAV | |
| SCHEMBL7986508 | 0.85 | ITGB3 (0.39) | ITGB3ITGA2BITGAV | |
| SCHEMBL7969576 | 0.85 | MAPK1 (0.43) | ITGB3ITGA2BITGAV | |
| SCHEMBL7439854 | 0.80 | FAAH (0.34) | ITGB3ITGA2BFAAHALDH1A1NOD1 | |
| SCHEMBL8492251 | 0.80 | FAAH (0.34) | ITGB3ITGA2BFAAHALDH1A1NOD1 | |
| Hydrochloric Acid SCHEMBL7969677 | 0.75 | AKR1B1 (0.35) | — | |
| Hydrochloric Acid SCHEMBL6699322 | 0.75 | AKR1B1 (0.35) | — | |
| Hydrochloric Acid SCHEMBL8479744 | 0.75 | AKR1B1 (0.35) | — | |
| SCHEMBL7439932 | 0.74 | ITGB3 (0.48) | ITGB3ITGA2BITGAV |
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-6191282-B1 | DERIVATIVES OF 5-MEMBERED NITROGEN CONTAINING HETEROCYCLIC RING IS USED AS ANTICARCINOGENIC AGENT AND ANTICOAGULANT | HOECHST MARION ROUSSEL (DE) | 2001-02-20 | — | — | US | disclosed |