Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ERCC5 | P28715 | 1/20 | 0.34 |
| ▸ | PDE4A | P27815 | 1/20 | 0.33 |
| ▸ | KLKB1 | P03952 | 3/20 | 0.32 |
| ▸ | RBP4 | P02753 | 1/20 | 0.32 |
| ▸ | ACE | P12821 | 1/20 | 0.31 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.31 |
| ▸ | MAPT | P10636 | 1/20 | 0.31 |
| ▸ | PIK3CA | P42336 | 1/20 | 0.30 |
| ▸ | PIK3CG | P48736 | 1/20 | 0.30 |
| ▸ | CYP2E1 | P05181 | 1/20 | 0.30 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.30 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.30 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.30 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.30 |
| ▸ | CYP2B6 | P20813 | 1/20 | 0.30 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.30 |
| ▸ | POLB | P06746 | 1/20 | 0.30 |
| ▸ | BLM | P54132 | 1/20 | 0.30 |
| ▸ | ATM | Q13315 | 1/20 | 0.30 |
| ▸ | HDAC3 | O15379 | 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 | |
|---|---|---|---|---|
| SCHEMBL7969549 | 0.78 | KDM4E (0.51) | KDM4EMAPTCYP3A4CYP2C19 | |
| SCHEMBL7980201 | 0.76 | RAB9A (0.38) | KDM4EMAPTPOLB | |
| SCHEMBL2066942 | 0.76 | CDK2 (0.35) | ERCC5PDE4AKDM4E | |
| SCHEMBL18209511 | 0.76 | HRH1 (0.40) | ERCC5KLKB1CYP2A6CYP2C9CYP2C19 | |
| SCHEMBL9569919 | 0.76 | ERCC5 (0.34) | ERCC5PDE4AKLKB1RBP4 | |
| SCHEMBL7983185 | 0.73 | TP53 (0.35) | MAPT | |
| SCHEMBL7982628 | 0.72 | TDP1 (0.39) | KLKB1KDM4EMAPTCYP2C19POLB | |
| SCHEMBL9934111 | 0.72 | ERCC5 (0.35) | ERCC5PDE4AKLKB1RBP4 | |
| SCHEMBL2066642 | 0.72 | PDE4A (0.35) | ERCC5PDE4AKLKB1RBP4MAPT | |
| SCHEMBL16188722 | 0.72 | KCNH2 (0.47) | MAPT |
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 |