Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GABBR2 | O75899 | 2/20 | 0.46 |
| ▸ | GABBR1 | Q9UBS5 | 2/20 | 0.46 |
| ▸ | HSPA5 | P11021 | 2/20 | 0.42 |
| ▸ | HIF1A | Q16665 | 3/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.41 |
| ▸ | MEN1 | O00255 | 2/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.41 |
| ▸ | MAPT | P10636 | 2/20 | 0.41 |
| ▸ | TSHR | P16473 | 2/20 | 0.41 |
| ▸ | BLM | P54132 | 2/20 | 0.41 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.41 |
| ▸ | USP2 | O75604 | 1/20 | 0.41 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.41 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.41 |
| ▸ | ATM | Q13315 | 1/20 | 0.41 |
| ▸ | NR1I2 | O75469 | 1/20 | 0.41 |
| ▸ | HMGCR | P04035 | 1/20 | 0.41 |
| ▸ | HTT | P42858 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL27418086 | 0.84 | KDM4E (0.45) | CYP1A2ALDH1A1CYP3A4HMGCRCYP2C9 | |
| SCHEMBL85764 | 0.80 | GABBR2 (0.66) | GABBR2GABBR1HIF1ACYP1A2KMT2A | |
| SCHEMBL1105055 | 0.79 | GABBR2 (0.45) | GABBR2GABBR1HSPA5HIF1ACYP1A2 | |
| Hydrochloric Acid SCHEMBL31385524 | 0.79 | GABBR2 (0.63) | GABBR2GABBR1HIF1ACYP1A2KMT2A | |
| Water SCHEMBL1502206 | 0.79 | GABBR2 (0.63) | GABBR2GABBR1HIF1ACYP1A2KMT2A | |
| Water SCHEMBL1502204 | 0.79 | GABBR2 (0.63) | GABBR2GABBR1HIF1ACYP1A2KMT2A | |
| SCHEMBL11864278 | 0.77 | GABBR2 (0.50) | GABBR2GABBR1HIF1ACYP1A2KMT2A | |
| SCHEMBL1823153 | 0.77 | PTGS1 (0.49) | GABBR2GABBR1CYP1A2CYP2C9CYP2C19 | |
| SCHEMBL1823151 | 0.77 | PTGS1 (0.49) | GABBR2GABBR1CYP1A2CYP2C9CYP2C19 | |
| SCHEMBL11870637 | 0.77 | GABBR2 (0.53) | GABBR2GABBR1HIF1ACYP1A2KMT2A |
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-5731336-A | USING ARYL-SUBSTITUTED RHODAMINES | ELI LILLY AND COMPANY (US) | 1998-03-24 | — | — | US | disclosed |
| 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 |
| US-5387690-A | Method of treating inflammatory bowel disease | ELI LILLY AND COMPANY (US) | 1995-02-07 | — | — | 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-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 |