Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NOTUM | Q6P988 | 4/20 | 0.41 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.33 |
| ▸ | CYP19A1 | P11511 | 3/20 | 0.33 |
| ▸ | GLA | P06280 | 1/20 | 0.33 |
| ▸ | CD74 | P04233 | 1/20 | 0.32 |
| ▸ | MIF | P14174 | 1/20 | 0.32 |
| ▸ | KCNA5 | P22460 | 1/20 | 0.32 |
| ▸ | NPC1 | O15118 | 1/20 | 0.32 |
| ▸ | RXRA | P19793 | 1/20 | 0.31 |
| ▸ | GRIN1 | Q05586 | 1/20 | 0.31 |
| ▸ | GRIN2B | Q13224 | 1/20 | 0.31 |
| ▸ | PIN1 | Q13526 | 1/20 | 0.31 |
| ▸ | KCNMA1 | Q12791 | 1/20 | 0.31 |
| ▸ | TK1 | P04183 | 1/20 | 0.30 |
| ▸ | MAOA | P21397 | 1/20 | 0.30 |
| ▸ | NOS2 | P35228 | 1/20 | 0.30 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.30 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.30 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.30 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL6465900 | 0.80 | NOTUM (0.53) | NOTUML3MBTL1 | |
| SCHEMBL7986546 | 0.77 | NOTUM (0.39) | NOTUML3MBTL1CYP19A1MAOAKMT2A | |
| SCHEMBL5363605 | 0.76 | NOTUM (0.34) | NOTUML3MBTL1CYP19A1MAOAALDH1A1 | |
| SCHEMBL6464955 | 0.76 | NOTUM (0.36) | NOTUML3MBTL1CYP19A1MAOA | |
| SCHEMBL8442070 | 0.76 | NOTUM (0.34) | NOTUML3MBTL1CYP19A1MAOA | |
| SCHEMBL20309609 | 0.76 | NOTUM (0.40) | NOTUML3MBTL1CYP19A1GLANPC1 | |
| SCHEMBL8442514 | 0.73 | KDM1A (0.36) | NOTUML3MBTL1NPC1 | |
| SCHEMBL10813663 | 0.73 | CYP19A1 (0.36) | NOTUML3MBTL1CYP19A1NPC1MAOA | |
| SCHEMBL16125117 | 0.70 | NPC1 (0.37) | L3MBTL1CYP19A1GLANPC1CYP2D6 | |
| SCHEMBL8446044 | 0.70 | NPC1 (0.32) | NPC1ALDH1A1 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6174877-B1 | EXCELLANT BACTERICIDES, ORAL ABSORBABILITY AND STABILITY; IMPROVE THE STABILITY TO RENAL DEHYDROPEPTIDASE I (DHP-I); 2-(2-(N-HETEROCYCLIC-ETHYLTHIO-) DERIVATIVES | TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) | 2001-01-16 | — | — | US | disclosed |
| EP-0876370-A1 | CARBAPENEM COMPOUNDS, THEIR PRODUCTION AND USE | Takeda Chemical Industries, Ltd. (JP) | 1998-11-11 | — | — | EP | disclosed |
| WO-1997025325-A1 | CARBAPENEM COMPOUNDS, THEIR PRODUCTION AND USE | TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) | 1997-07-17 | — | — | WO | disclosed |