Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ABCB11 | O95342 | 1/20 | 0.54 |
| ▸ | LMNA | P02545 | 1/20 | 0.54 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.54 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.54 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.54 |
| ▸ | BCAT2 | O15382 | 1/20 | 0.39 |
| ▸ | CA1 | P00915 | 1/20 | 0.38 |
| ▸ | CA2 | P00918 | 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 | |
|---|---|---|---|---|
| SCHEMBL8432521 | 0.89 | ABCB11 (0.41) | ABCB11LMNAPTGS1ADORA1PTGS2 | |
| SCHEMBL8532447 | 0.87 | PTGS1 (0.40) | ABCB11LMNAPTGS1ADORA1PTGS2 | |
| SCHEMBL8532340 | 0.86 | PTGS1 (0.39) | ABCB11LMNAPTGS1ADORA1PTGS2 | |
| SCHEMBL8430946 | 0.82 | SRD5A2 (0.39) | ABCB11LMNAPTGS1ADORA1PTGS2 | |
| SCHEMBL8531083 | 0.81 | ABCB11 (0.56) | ABCB11LMNAPTGS1ADORA1PTGS2 | |
| SCHEMBL8429321 | 0.79 | ITGB3 (0.38) | ABCB11LMNAPTGS1ADORA1PTGS2 | |
| SCHEMBL8429187 | 0.78 | ITGB3 (0.37) | CA1CA2 | |
| SCHEMBL8432903 | 0.78 | ITGB3 (0.39) | ABCB11LMNAPTGS1ADORA1PTGS2 | |
| Amfenac SCHEMBL30777846 | 0.78 | ABCB11 (0.78) | ABCB11LMNAPTGS1ADORA1PTGS2 | |
| Amfenac SCHEMBL24249 | 0.78 | ABCB11 (0.78) | ABCB11LMNAPTGS1ADORA1PTGS2 |
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-5773646-A | INTEGRIN INHIBITORS | G. D. SEARLE & CO. (US) | 1998-06-30 | — | — | US | disclosed |