Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | P2RX7 | Q99572 | 1/20 | 0.38 |
| ▸ | SYK | P43405 | 1/20 | 0.36 |
| ▸ | AURKB | Q96GD4 | 1/20 | 0.36 |
| ▸ | INCENP | Q9NQS7 | 1/20 | 0.36 |
| ▸ | HTT | P42858 | 3/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.35 |
| ▸ | PKM | P14618 | 1/20 | 0.35 |
| ▸ | GFER | P55789 | 1/20 | 0.35 |
| ▸ | NAMPT | P43490 | 1/20 | 0.35 |
| ▸ | POLB | P06746 | 2/20 | 0.35 |
| ▸ | BLM | P54132 | 1/20 | 0.35 |
| ▸ | ATM | Q13315 | 1/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.34 |
| ▸ | LMNA | P02545 | 2/20 | 0.34 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.33 |
| ▸ | HPGDS | O60760 | 1/20 | 0.33 |
| ▸ | MEN1 | O00255 | 1/20 | 0.33 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.32 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.31 |
| ▸ | CYP2E1 | P05181 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL11363496 | 0.82 | ALDH1A1 (0.46) | P2RX7SYKAURKBINCENPHTT | |
| SCHEMBL29993219 | 0.78 | ALDH1A1 (0.53) | HTTKMT2AALDH1A1LMNAMEN1 | |
| SCHEMBL177882 | 0.78 | ALDH1A1 (0.53) | HTTKMT2AALDH1A1LMNAMEN1 | |
| SCHEMBL11371383 | 0.76 | NAMPT (0.39) | P2RX7SYKAURKBINCENPHTT | |
| SCHEMBL29384271 | 0.75 | ALDH1A1 (0.55) | HTTKMT2APOLBALDH1A1LMNA | |
| SCHEMBL11363427 | 0.75 | LMNA (0.38) | P2RX7SYKAURKBINCENPHTT | |
| SCHEMBL19049445 | 0.73 | ACACB (0.49) | P2RX7NAMPTBLMALDH1A1LMNA | |
| SCHEMBL11356535 | 0.73 | HTT (0.37) | SYKAURKBINCENPHTTKMT2A | |
| SCHEMBL11370661 | 0.73 | LMNA (0.48) | HTTKMT2ANAMPTALDH1A1LMNA | |
| SCHEMBL4092815 | 0.73 | P2RX7 (0.43) | P2RX7SYKAURKBINCENPHTT |
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 |