Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MEN1 | O00255 | 1/20 | 0.50 |
| ▸ | NPC1 | O15118 | 1/20 | 0.50 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.50 |
| ▸ | LMNA | P02545 | 1/20 | 0.50 |
| ▸ | POLB | P06746 | 1/20 | 0.50 |
| ▸ | GAA | P10253 | 1/20 | 0.50 |
| ▸ | MAPT | P10636 | 1/20 | 0.50 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.50 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.47 |
| ▸ | EEF2K | O00418 | 1/20 | 0.45 |
| ▸ | SRC | P12931 | 1/20 | 0.45 |
| ▸ | NAT1 | P18440 | 4/20 | 0.40 |
| ▸ | AKR1B1 | P15121 | 1/20 | 0.39 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.37 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.37 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.37 |
| ▸ | CYP2B6 | P20813 | 1/20 | 0.37 |
| ▸ | SIRT1 | Q96EB6 | 1/20 | 0.36 |
| ▸ | PTGS1 | P23219 | 5/20 | 0.36 |
| ▸ | PTGS2 | P35354 | 5/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL8537136 | 1.00 | MEN1 (0.50) | MEN1NPC1ALDH1A1LMNAPOLB | |
| SCHEMBL8991978 | 0.88 | PTGS2 (0.48) | MEN1NPC1ALDH1A1LMNAPOLB | |
| SCHEMBL8893231 | 0.88 | PTGS2 (0.48) | MEN1NPC1ALDH1A1LMNAPOLB | |
| SCHEMBL8957287 | 0.82 | CYP1A2 (0.50) | MEN1NPC1ALDH1A1LMNAPOLB | |
| SCHEMBL8532777 | 0.81 | PTGS2 (0.56) | MEN1ALDH1A1GAAKMT2ACYP2C9 | |
| SCHEMBL8537121 | 0.81 | CYP1A2 (0.51) | NAT1CYP1A2CYP3A4CYP2B6PTGS1 | |
| SCHEMBL8991956 | 0.81 | IGF1R (0.56) | MEN1ALDH1A1LMNAPOLBGAA | |
| SCHEMBL8537123 | 0.81 | CYP1A2 (0.51) | NAT1CYP1A2CYP3A4CYP2B6PTGS1 | |
| SCHEMBL8532780 | 0.81 | PTGS2 (0.56) | MEN1ALDH1A1GAAKMT2ACYP2C9 | |
| SCHEMBL8991957 | 0.81 | IGF1R (0.56) | MEN1ALDH1A1LMNAPOLBGAA |
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 11 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 |
| 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 |
| 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 |
| EP-0391644-A2 | Aryl-substituted rhodanine derivatives | ELI LILLY AND COMPANY (US) | 1990-10-10 | — | — | EP | disclosed |