Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTGS2 | P35354 | 11/20 | 0.39 |
| ▸ | PTGS1 | P23219 | 7/20 | 0.38 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.35 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.34 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.34 |
| ▸ | EEF2K | O00418 | 1/20 | 0.33 |
| ▸ | SRC | P12931 | 1/20 | 0.33 |
| ▸ | MEN1 | O00255 | 1/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.32 |
| ▸ | GAA | P10253 | 1/20 | 0.32 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL8537642 | 1.00 | PTGS2 (0.39) | PTGS2PTGS1ALOX5CYP1A2CYP2C9 | |
| SCHEMBL8933347 | 0.82 | PTGS2 (0.51) | PTGS2PTGS1ALOX5CYP1A2CYP2C9 | |
| SCHEMBL8894620 | 0.82 | PTGS2 (0.51) | PTGS2PTGS1ALOX5CYP1A2CYP2C9 | |
| SCHEMBL8581446 | 0.79 | PTGS2 (0.35) | PTGS2PTGS1ALOX5CYP1A2CYP2C9 | |
| SCHEMBL8533657 | 0.73 | GAA (0.39) | PTGS2PTGS1ALOX5CYP1A2CYP2C9 | |
| SCHEMBL8533654 | 0.73 | GAA (0.39) | PTGS2PTGS1ALOX5CYP1A2CYP2C9 | |
| SCHEMBL8991923 | 0.72 | PTGS2 (0.49) | PTGS2PTGS1ALOX5CYP1A2CYP2C9 | |
| SCHEMBL8893437 | 0.72 | PTGS2 (0.49) | PTGS2PTGS1ALOX5CYP1A2CYP2C9 | |
| SCHEMBL8933407 | 0.70 | PTGS2 (0.44) | PTGS2PTGS1ALOX5CYP1A2CYP2C9 | |
| SCHEMBL8895054 | 0.70 | PTGS2 (0.44) | PTGS2PTGS1ALOX5CYP1A2CYP2C9 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0434394-B1 | Compounds for treating inflammatory bowel disease | LILLY CO ELI (US) | 1998-08-05 | — | — | EP | disclosed |
| EP-0722729-A2 | Aryl-substituted rhodanines for treating multiple sclerosis | ELI LILLY AND COMPANY (US) | 1996-07-24 | — | — | EP | disclosed |
| US-5387690-A | Method of treating inflammatory bowel disease | ELI LILLY AND COMPANY (US) | 1995-02-07 | — | — | US | disclosed |