Predicted protein targets (top 7)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.35 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.35 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.35 |
| ▸ | NAT1 | P18440 | 1/20 | 0.32 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.30 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.30 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL8532119 | 1.00 | CYP1A2 (0.35) | CYP1A2CYP3A4CYP2C9NAT1ALOX5 | |
| SCHEMBL8991952 | 0.86 | KDM4E (0.35) | CYP1A2CYP3A4CYP2C9NAT1ALOX5 | |
| SCHEMBL8580786 | 0.86 | KDM4E (0.35) | CYP1A2CYP3A4CYP2C9NAT1ALOX5 | |
| SCHEMBL8532250 | 0.82 | CYP1A2 (0.40) | CYP1A2CYP3A4CYP2C9NAT1ALOX5 | |
| SCHEMBL8532254 | 0.82 | CYP1A2 (0.40) | CYP1A2CYP3A4CYP2C9NAT1ALOX5 | |
| SCHEMBL8893749 | 0.81 | PTGS2 (0.47) | CYP1A2CYP2C9ALOX5PTGS1PTGS2 | |
| SCHEMBL8933530 | 0.81 | PTGS2 (0.47) | CYP1A2CYP2C9ALOX5PTGS1PTGS2 | |
| SCHEMBL8933407 | 0.73 | PTGS2 (0.44) | CYP1A2CYP2C9ALOX5PTGS1PTGS2 | |
| SCHEMBL8895054 | 0.73 | PTGS2 (0.44) | CYP1A2CYP2C9ALOX5PTGS1PTGS2 | |
| SCHEMBL8957287 | 0.73 | CYP1A2 (0.50) | CYP1A2CYP3A4CYP2C9NAT1ALOX5 |
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 8 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 |
| US-5731336-A | USING ARYL-SUBSTITUTED RHODAMINES | ELI LILLY AND COMPANY (US) | 1998-03-24 | — | — | US | disclosed |
| US-5691367-A | ANTIINFLAMMATORY AGENTS OR ANTIARTHRITIC AGENTS | ELI LILLY AND COMPANY (US) | 1997-11-25 | — | — | US | disclosed |
| EP-0722729-A2 | Aryl-substituted rhodanines for treating multiple sclerosis | ELI LILLY AND COMPANY (US) | 1996-07-24 | — | — | EP | disclosed |
| US-5356917-A | Antiischemic, antiinflammatory, antiarthritic agents, treat-ment of dystrophic mammals | ELI LILLY AND COMPANY (US) | 1994-10-18 | — | — | US | disclosed |
| US-5216002-A | Using benzyl substituted rhodanine derivatives as pure enantiomeric form | ELI LILLY AND COMPANY (US) | 1993-06-01 | — | — | US | disclosed |
| US-5158966-A | Aryl-substituted rhodanine derivatives | THE UNIVERSITY OF COLORADO FOUNDATION, INC. (US) | 1992-10-27 | — | — | US | disclosed |
| EP-0434394-A2 | Compounds for treating inflammatory bowel disease | ELI LILLY AND COMPANY (US) | 1991-06-26 | — | — | EP | disclosed |