Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HSD17B3 | P37058 | 2/20 | 0.55 |
| ▸ | TAS2R14 | Q9NYV8 | 1/20 | 0.50 |
| ▸ | MAPT | P10636 | 6/20 | 0.48 |
| ▸ | MEN1 | O00255 | 4/20 | 0.48 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.48 |
| ▸ | CTNNB1 | P35222 | 2/20 | 0.48 |
| ▸ | RAB9A | P51151 | 2/20 | 0.48 |
| ▸ | TCF4 | P15884 | 1/20 | 0.48 |
| ▸ | NPC1 | O15118 | 1/20 | 0.48 |
| ▸ | USP2 | O75604 | 1/20 | 0.48 |
| ▸ | PSMD14 | O00487 | 2/20 | 0.48 |
| ▸ | POLB | P06746 | 2/20 | 0.48 |
| ▸ | NAT1 | P18440 | 1/20 | 0.47 |
| ▸ | MAPK1 | P28482 | 4/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.46 |
| ▸ | PDE4B | Q07343 | 2/20 | 0.45 |
| ▸ | NCOA3 | Q9Y6Q9 | 1/20 | 0.45 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.45 |
| ▸ | XBP1 | P17861 | 1/20 | 0.44 |
| ▸ | MCHR1 | Q99705 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL8537493 | 1.00 | HSD17B3 (0.55) | HSD17B3TAS2R14MAPTMEN1KMT2A | |
| SCHEMBL7704006 | 0.83 | HSD17B3 (0.55) | HSD17B3TAS2R14MAPTMEN1KMT2A | |
| SCHEMBL7704002 | 0.83 | HSD17B3 (0.55) | HSD17B3TAS2R14MAPTMEN1KMT2A | |
| SCHEMBL12008469 | 0.72 | CTNNB1 (0.79) | TAS2R14MAPTMEN1KMT2ACTNNB1 | |
| SCHEMBL3893517 | 0.70 | MEN1 (0.69) | MAPTMEN1KMT2ARAB9ANPC1 | |
| SCHEMBL3893522 | 0.70 | MEN1 (0.69) | MAPTMEN1KMT2ARAB9ANPC1 | |
| SCHEMBL20837904 | 0.70 | MAPT (0.65) | TAS2R14MAPTMEN1KMT2ACTNNB1 | |
| SCHEMBL12008561 | 0.70 | CTNNB1 (0.68) | TAS2R14MAPTMEN1KMT2ACTNNB1 | |
| SCHEMBL12008449 | 0.70 | TAS2R14 (0.76) | TAS2R14MAPTMEN1KMT2ACTNNB1 | |
| SCHEMBL12217961 | 0.69 | MEN1 (0.67) | HSD17B3MAPTMEN1KMT2AUSP2 |
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 5 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 |
| EP-0434394-A2 | Compounds for treating inflammatory bowel disease | ELI LILLY AND COMPANY (US) | 1991-06-26 | — | — | EP | disclosed |