Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 2/20 | 0.61 |
| ▸ | GAA | P10253 | 2/20 | 0.61 |
| ▸ | MEN1 | O00255 | 2/20 | 0.61 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.61 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.61 |
| ▸ | LMNA | P02545 | 1/20 | 0.61 |
| ▸ | POLB | P06746 | 1/20 | 0.61 |
| ▸ | MAPT | P10636 | 1/20 | 0.61 |
| ▸ | NAT1 | P18440 | 7/20 | 0.50 |
| ▸ | CISD1 | Q9NZ45 | 1/20 | 0.47 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.47 |
| ▸ | CA2 | P00918 | 1/20 | 0.46 |
| ▸ | EPHX1 | P07099 | 1/20 | 0.46 |
| ▸ | PIM1 | P11309 | 2/20 | 0.45 |
| ▸ | DYRK1A | Q13627 | 1/20 | 0.45 |
| ▸ | PIM3 | Q86V86 | 1/20 | 0.45 |
| ▸ | DYRK2 | Q92630 | 1/20 | 0.45 |
| ▸ | PIM2 | Q9P1W9 | 1/20 | 0.45 |
| ▸ | MYC | P01106 | 2/20 | 0.45 |
| ▸ | MAX | P61244 | 2/20 | 0.45 |
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 | |
|---|---|---|---|---|
| SCHEMBL8307815 | 0.79 | DYRK1A (0.61) | NPC1GAAMEN1KMT2AALDH1A1 | |
| SCHEMBL8307819 | 0.79 | DYRK1A (0.61) | NPC1GAAMEN1KMT2AALDH1A1 | |
| SCHEMBL20006065 | 0.79 | NPC1 (0.80) | NPC1GAAMEN1KMT2AALDH1A1 | |
| SCHEMBL8310306 | 0.78 | MEN1 (1.00) | NPC1GAAMEN1KMT2AALDH1A1 | |
| SCHEMBL8308378 | 0.78 | MEN1 (1.00) | NPC1GAAMEN1KMT2AALDH1A1 | |
| SCHEMBL8306587 | 0.77 | PTGS2 (0.69) | NPC1GAAMEN1KMT2AALDH1A1 | |
| SCHEMBL8306585 | 0.77 | PTGS2 (0.69) | NPC1GAAMEN1KMT2AALDH1A1 | |
| SCHEMBL27421195 | 0.72 | DYRK1A (0.60) | NPC1GAAMEN1KMT2AALDH1A1 | |
| SCHEMBL8535412 | 0.71 | PTGS2 (0.85) | NPC1GAAMEN1KMT2AALDH1A1 | |
| SCHEMBL8535410 | 0.71 | PTGS2 (0.85) | NPC1GAAMEN1KMT2AALDH1A1 |
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 6 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 |
| 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-0434394-A2 | Compounds for treating inflammatory bowel disease | ELI LILLY AND COMPANY (US) | 1991-06-26 | — | — | EP | disclosed |