Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.48 |
| ▸ | GAA | P10253 | 3/20 | 0.48 |
| ▸ | KDM4E | B2RXH2 | 7/20 | 0.46 |
| ▸ | NPC1 | O15118 | 2/20 | 0.46 |
| ▸ | MAPT | P10636 | 2/20 | 0.46 |
| ▸ | RAB9A | P51151 | 1/20 | 0.46 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.46 |
| ▸ | GLA | P06280 | 1/20 | 0.46 |
| ▸ | HPGD | P15428 | 1/20 | 0.46 |
| ▸ | CASP1 | P29466 | 1/20 | 0.46 |
| ▸ | CASP7 | P55210 | 1/20 | 0.46 |
| ▸ | NPSR1 | Q6W5P4 | 4/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.41 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.40 |
| ▸ | ATM | Q13315 | 1/20 | 0.40 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.40 |
| ▸ | MEN1 | O00255 | 1/20 | 0.40 |
| ▸ | DPP4 | P27487 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL12844543 | 0.86 | MAPT (0.51) | ALDH1A1GAAKDM4ENPC1MAPT | |
| SCHEMBL298084 | 0.85 | ALDH1A1 (0.47) | ALDH1A1GAAKDM4ENPC1MAPT | |
| SCHEMBL7983099 | 0.85 | ALDH1A1 (0.47) | ALDH1A1GAAKDM4ENPC1MAPT | |
| SCHEMBL7979650 | 0.85 | ALDH1A1 (0.50) | ALDH1A1GAAKDM4ENPC1MAPT | |
| SCHEMBL6491851 | 0.82 | KDM4E (0.50) | ALDH1A1GAAKDM4ENPC1MAPT | |
| SCHEMBL297730 | 0.82 | ALDH1A1 (0.50) | ALDH1A1GAAKDM4ENPC1MAPT | |
| SCHEMBL23530675 | 0.81 | ALDH1A1 (0.53) | ALDH1A1GAAKDM4ENPC1MAPT | |
| SCHEMBL13287348 | 0.81 | KDM4E (0.51) | ALDH1A1GAAKDM4ENPC1MAPT | |
| Hydrochloric Acid SCHEMBL637084 | 0.81 | ALDH1A1 (0.49) | ALDH1A1GAAKDM4ENPC1MAPT | |
| SCHEMBL6491442 | 0.81 | ALDH1A1 (0.49) | ALDH1A1GAAKDM4ENPC1MAPT |
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 |