Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TRPA1 | O75762 | 1/20 | 0.39 |
| ▸ | IDO1 | P14902 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.38 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.38 |
| ▸ | MAPT | P10636 | 1/20 | 0.38 |
| ▸ | HTT | P42858 | 1/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.38 |
| ▸ | MEN1 | O00255 | 1/20 | 0.38 |
| ▸ | ATM | Q13315 | 1/20 | 0.38 |
| ▸ | BRD4 | O60885 | 1/20 | 0.37 |
| ▸ | PIN1 | Q13526 | 1/20 | 0.37 |
| ▸ | PIN4 | Q9Y237 | 1/20 | 0.37 |
| ▸ | NLRP3 | Q96P20 | 1/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.36 |
| ▸ | POLB | P06746 | 2/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.36 |
| ▸ | CA12 | O43570 | 1/20 | 0.35 |
| ▸ | CA2 | P00918 | 1/20 | 0.35 |
| ▸ | CA9 | Q16790 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL4483188 | 0.85 | TRPA1 (0.46) | TRPA1IDO1ALDH1A1MAPTKMT2A | |
| SCHEMBL27528478 | 0.81 | IDO1 (0.52) | IDO1ALDH1A1HSD17B10CYP1A2MAPT | |
| SCHEMBL13708565 | 0.79 | TRPA1 (0.39) | TRPA1IDO1ALDH1A1HTTKDM4E | |
| SCHEMBL4459488 | 0.78 | TRPA1 (0.38) | TRPA1IDO1ALDH1A1MAPTKDM4E | |
| SCHEMBL27552574 | 0.77 | ALDH1A1 (0.44) | IDO1ALDH1A1HSD17B10CYP1A2MAPT | |
| SCHEMBL28746674 | 0.77 | IDO1 (0.40) | IDO1ALDH1A1HSD17B10CYP1A2MAPT | |
| SCHEMBL27528492 | 0.76 | TRPA1 (0.40) | TRPA1ALDH1A1MAPTKMT2AMEN1 | |
| SCHEMBL4473541 | 0.76 | TRPA1 (0.44) | TRPA1ALDH1A1MAPTKDM4ECA2 | |
| SCHEMBL6233955 | 0.76 | TRPA1 (0.44) | TRPA1ALDH1A1MAPTKDM4ECA2 | |
| SCHEMBL27528482 | 0.76 | ALDH1A1 (0.39) | IDO1ALDH1A1HSD17B10CYP1A2MAPT |
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 |
|---|---|---|---|---|---|---|---|
| CN-1290833-C | N- ((3-oxo2, 3-dihydro-1H-isoindol-1-yl) acetyl) guanidine derivatives as NHE-1 inhibitors for the treatment of infarction and angina pectoris | SANOFI AVENTIS PHARMA GMBH (DE) | 2006-12-20 | — | — | CN | disclosed |
| EP-1528923-A1 | N-((3-OXO-2,3-DIHYDRO-1H-ISOINDOL-1-YL)ACETYL)GUANIDINE DERIVATIVES AS NHE1-INHIBITORS FOR THE TREATMENT OF INFARCTION AND ANGINA PECTORIS | Aventis Pharma Deutschland GmbH (DE) | 2005-05-11 | — | — | EP | disclosed |
| WO-2003101450-A1 | N- ((3-OXO2, 3-DIHYDRO-1H-ISOINDOL-1-YL) ACETYL) GUANIDINE DERIVATIVES AS NHE-1 INHIBITORS FOR THE TREATMENT OF INFARCTION AND ANGINA PECTORIS | AVENTIS PHARMA DEUTSCHLAND GMBH (DE) | 2003-12-11 | — | — | WO | disclosed |