Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTGS2 | P35354 | 9/20 | 0.45 |
| ▸ | PTGS1 | P23219 | 6/20 | 0.45 |
| ▸ | GSR | P00390 | 2/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.41 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.41 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.41 |
| ▸ | MEN1 | O00255 | 1/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.40 |
| ▸ | GAA | P10253 | 1/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.40 |
| ▸ | EEF2K | O00418 | 1/20 | 0.39 |
| ▸ | SRC | P12931 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL8893593 | 1.00 | PTGS2 (0.45) | PTGS2PTGS1GSRCYP1A2CYP2C9 | |
| SCHEMBL8992032 | 0.92 | PTGS2 (0.45) | PTGS2PTGS1CYP1A2CYP2C9ALOX5 | |
| SCHEMBL8893972 | 0.92 | PTGS2 (0.45) | PTGS2PTGS1CYP1A2CYP2C9ALOX5 | |
| SCHEMBL8896290 | 0.89 | PTGS2 (0.50) | PTGS2PTGS1CYP1A2CYP2C9ALOX5 | |
| SCHEMBL8933259 | 0.89 | PTGS2 (0.50) | PTGS2PTGS1CYP1A2CYP2C9ALOX5 | |
| SCHEMBL8933465 | 0.89 | PTGS2 (0.42) | PTGS2PTGS1CYP1A2CYP2C9ALOX5 | |
| SCHEMBL8991971 | 0.89 | PTGS2 (0.42) | PTGS2PTGS1CYP1A2CYP2C9ALOX5 | |
| SCHEMBL8933351 | 0.88 | PTGS2 (0.47) | PTGS2PTGS1CYP1A2CYP2C9ALOX5 | |
| SCHEMBL8894071 | 0.88 | PTGS2 (0.47) | PTGS2PTGS1CYP1A2CYP2C9ALOX5 | |
| SCHEMBL8933397 | 0.84 | PTGS2 (0.50) | PTGS2PTGS1CYP1A2CYP2C9ALOX5 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-1996022772-A1 | METHOD FOR TREATING MULTIPLE SCLEROSIS | ELI LILLY AND COMPANY (US) | 1996-08-01 | — | — | WO | disclosed |
| EP-0722729-A2 | Aryl-substituted rhodanines for treating multiple sclerosis | ELI LILLY AND COMPANY (US) | 1996-07-24 | — | — | EP | disclosed |
| EP-0391644-B1 | Aryl-substituted rhodanine derivatives | LILLY CO ELI (US) | 1996-06-19 | — | — | EP | disclosed |
| US-5356917-A | Antiischemic, antiinflammatory, antiarthritic agents, treat-ment of dystrophic mammals | ELI LILLY AND COMPANY (US) | 1994-10-18 | — | — | US | disclosed |