Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.51 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.51 |
| ▸ | CYP2B6 | P20813 | 1/20 | 0.51 |
| ▸ | PTGS2 | P35354 | 2/20 | 0.49 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.45 |
| ▸ | EGFR | P00533 | 3/20 | 0.40 |
| ▸ | ERBB2 | P04626 | 2/20 | 0.40 |
| ▸ | PDGFRB | P09619 | 2/20 | 0.40 |
| ▸ | IGF1R | P08069 | 1/20 | 0.40 |
| ▸ | NOX4 | Q9NPH5 | 1/20 | 0.40 |
| ▸ | NAT1 | P18440 | 3/20 | 0.37 |
| ▸ | CA1 | P00915 | 1/20 | 0.36 |
| ▸ | CA2 | P00918 | 1/20 | 0.36 |
| ▸ | GABRA1 | P14867 | 3/20 | 0.34 |
| ▸ | GABRB1 | P18505 | 3/20 | 0.34 |
| ▸ | GABRB2 | P47870 | 1/20 | 0.34 |
| ▸ | GLRA1 | P23415 | 1/20 | 0.34 |
| ▸ | S1PR1 | P21453 | 1/20 | 0.33 |
| ▸ | S1PR3 | Q99500 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL8537123 | 1.00 | CYP1A2 (0.51) | CYP1A2CYP3A4CYP2B6PTGS2PTGS1 | |
| SCHEMBL8957291 | 0.89 | PTGS2 (0.45) | CYP1A2CYP3A4CYP2B6PTGS2PTGS1 | |
| SCHEMBL8957294 | 0.89 | PTGS2 (0.45) | CYP1A2CYP3A4CYP2B6PTGS2PTGS1 | |
| SCHEMBL8895663 | 0.87 | CYP1A2 (0.38) | CYP1A2CYP3A4CYP2B6PTGS2PTGS1 | |
| SCHEMBL8895667 | 0.87 | CYP1A2 (0.38) | CYP1A2CYP3A4CYP2B6PTGS2PTGS1 | |
| SCHEMBL8537140 | 0.81 | MEN1 (0.50) | CYP1A2CYP3A4CYP2B6PTGS2PTGS1 | |
| SCHEMBL8537136 | 0.81 | MEN1 (0.50) | CYP1A2CYP3A4CYP2B6PTGS2PTGS1 | |
| SCHEMBL8957287 | 0.79 | CYP1A2 (0.50) | CYP1A2CYP3A4PTGS2PTGS1IGF1R | |
| SCHEMBL8991957 | 0.78 | IGF1R (0.56) | CYP3A4CYP2B6IGF1R | |
| SCHEMBL8991956 | 0.78 | IGF1R (0.56) | CYP3A4CYP2B6IGF1R |
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 9 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-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 |
| EP-0691129-A2 | Thiazolidone and pyrrolidinone compounds for inhibiting bone loss | ELI LILLY AND COMPANY (US) | 1996-01-10 | — | — | EP | disclosed |
| US-5387690-A | Method of treating inflammatory bowel disease | ELI LILLY AND COMPANY (US) | 1995-02-07 | — | — | US | disclosed |
| US-5356917-A | Antiischemic, antiinflammatory, antiarthritic agents, treat-ment of dystrophic mammals | ELI LILLY AND COMPANY (US) | 1994-10-18 | — | — | US | disclosed |
| US-5158966-A | Aryl-substituted rhodanine derivatives | THE UNIVERSITY OF COLORADO FOUNDATION, INC. (US) | 1992-10-27 | — | — | US | disclosed |
| EP-0500337-A1 | Composition containing aryl-substituted rhodanine derivatives for the treatment of type I diabetes | UNIVERSITY OF COLORADO FOUNDATION, INC. (US) | 1992-08-26 | — | — | EP | disclosed |
| EP-0434394-A2 | Compounds for treating inflammatory bowel disease | ELI LILLY AND COMPANY (US) | 1991-06-26 | — | — | EP | disclosed |