Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CTDSP1 | Q9GZU7 | 1/20 | 0.40 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.40 |
| ▸ | KEAP1 | Q14145 | 1/20 | 0.35 |
| ▸ | NFE2L2 | Q16236 | 1/20 | 0.35 |
| ▸ | VDR | P11473 | 1/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.34 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.34 |
| ▸ | NAMPT | P43490 | 1/20 | 0.34 |
| ▸ | LMNA | P02545 | 2/20 | 0.33 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.33 |
| ▸ | MAPT | P10636 | 1/20 | 0.33 |
| ▸ | HTT | P42858 | 1/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.33 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.33 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.33 |
| ▸ | DHODH | Q02127 | 1/20 | 0.32 |
| ▸ | GBA1 | P04062 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL8721038 | 0.94 | CTDSP1 (0.39) | CTDSP1CYP1A2KEAP1NFE2L2VDR | |
| SCHEMBL8322191 | 0.76 | GAA (0.50) | CYP1A2VDRALDH1A1KMT2ALMNA | |
| SCHEMBL8187178 | 0.76 | GAA (0.50) | CYP1A2VDRALDH1A1KMT2ALMNA | |
| SCHEMBL8206560 | 0.76 | GAA (0.50) | CYP1A2VDRALDH1A1KMT2ALMNA | |
| SCHEMBL17404667 | 0.73 | GAA (0.45) | VDRALDH1A1KMT2ACYP2C9SMN1; SMN2 | |
| SCHEMBL5245093 | 0.73 | GBA1 (0.46) | CYP1A2VDRALDH1A1KMT2ACYP2C9 | |
| SCHEMBL16424498 | 0.73 | GAA (0.45) | VDRALDH1A1KMT2ACYP2C9SMN1; SMN2 | |
| SCHEMBL5830519 | 0.73 | GBA1 (0.46) | CYP1A2VDRALDH1A1KMT2ACYP2C9 | |
| SCHEMBL10932836 | 0.73 | GBA1 (0.46) | CYP1A2VDRALDH1A1KMT2ACYP2C9 | |
| SCHEMBL18737643 | 0.73 | GAA (0.45) | VDRALDH1A1KMT2ACYP2C9SMN1; SMN2 |
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 |