Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.43 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.43 |
| ▸ | RAB9A | P51151 | 2/20 | 0.42 |
| ▸ | MEN1 | O00255 | 1/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.42 |
| ▸ | ATM | Q13315 | 1/20 | 0.42 |
| ▸ | HTT | P42858 | 2/20 | 0.41 |
| ▸ | CYP11B1 | P15538 | 5/20 | 0.40 |
| ▸ | CYP11B2 | P19099 | 5/20 | 0.40 |
| ▸ | PIN1 | Q13526 | 1/20 | 0.40 |
| ▸ | PIN4 | Q9Y237 | 1/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.39 |
| ▸ | HPGD | P15428 | 2/20 | 0.39 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.39 |
| ▸ | NPC1 | O15118 | 1/20 | 0.39 |
| ▸ | FAAH | O00519 | 1/20 | 0.39 |
| ▸ | BRD4 | O60885 | 2/20 | 0.37 |
| ▸ | MAPT | P10636 | 1/20 | 0.37 |
| ▸ | TSHR | P16473 | 1/20 | 0.37 |
| ▸ | USP2 | O75604 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL27568972 | 0.91 | ALDH1A1 (0.43) | ALDH1A1SMN1; SMN2RAB9AMEN1KMT2A | |
| SCHEMBL6231541 | 0.89 | PIN1 (0.41) | ALDH1A1RAB9AMEN1KMT2AHTT | |
| SCHEMBL6234016 | 0.87 | TDP2 (0.42) | ALDH1A1MEN1KMT2AATMPIN1 | |
| SCHEMBL4466269 | 0.85 | MDM2 (0.45) | CYP11B1CYP11B2KDM4EHPGD | |
| SCHEMBL6233172 | 0.85 | PIN1 (0.38) | ALDH1A1SMN1; SMN2HTTCYP11B1CYP11B2 | |
| SCHEMBL27528495 | 0.84 | CYP11B1 (0.43) | ALDH1A1CYP11B1CYP11B2PIN1PIN4 | |
| SCHEMBL27528478 | 0.84 | IDO1 (0.52) | ALDH1A1SMN1; SMN2RAB9AHTTPIN1 | |
| SCHEMBL27552574 | 0.82 | ALDH1A1 (0.44) | ALDH1A1SMN1; SMN2RAB9AMEN1KMT2A | |
| SCHEMBL13708555 | 0.80 | HTR2B (0.40) | CYP11B1CYP11B2 | |
| SCHEMBL27528482 | 0.80 | ALDH1A1 (0.39) | ALDH1A1MEN1KMT2AATMHTT |
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 |