Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PIN1 | Q13526 | 1/20 | 0.38 |
| ▸ | PIN4 | Q9Y237 | 1/20 | 0.38 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.36 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.36 |
| ▸ | MCL1 | Q07820 | 1/20 | 0.36 |
| ▸ | IDO1 | P14902 | 1/20 | 0.35 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.34 |
| ▸ | CYP11B1 | P15538 | 1/20 | 0.34 |
| ▸ | CYP11B2 | P19099 | 1/20 | 0.34 |
| ▸ | TNF | P01375 | 1/20 | 0.34 |
| ▸ | DNMT1 | P26358 | 3/20 | 0.33 |
| ▸ | LMNA | P02545 | 2/20 | 0.33 |
| ▸ | BRD4 | O60885 | 2/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.33 |
| ▸ | HPGD | P15428 | 1/20 | 0.33 |
| ▸ | MAPT | P10636 | 2/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.33 |
| ▸ | HTT | P42858 | 1/20 | 0.32 |
| ▸ | POLB | P06746 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL27528495 | 0.91 | CYP11B1 (0.43) | PIN1PIN4IDO1CYP11B1CYP11B2 | |
| SCHEMBL6231541 | 0.87 | PIN1 (0.41) | PIN1PIN4IDO1CYP1A2LMNA | |
| SCHEMBL4473163 | 0.85 | MCL1 (0.39) | CYP2C19MCL1TNFDNMT1ALDH1A1 | |
| SCHEMBL20000833 | 0.85 | MCL1 (0.36) | MCL1TNFDNMT1ALDH1A1HPGD | |
| SCHEMBL6236384 | 0.85 | ALDH1A1 (0.43) | PIN1PIN4CYP11B1CYP11B2BRD4 | |
| SCHEMBL6234016 | 0.85 | TDP2 (0.42) | PIN1PIN4CYP2C9CYP2C19MCL1 | |
| SCHEMBL27528481 | 0.82 | CYP11B1 (0.41) | PIN1PIN4IDO1CYP11B1CYP11B2 | |
| SCHEMBL27528478 | 0.82 | IDO1 (0.52) | PIN1PIN4IDO1CYP1A2KDM4E | |
| SCHEMBL13708551 | 0.81 | MCL1 (0.34) | MCL1TNFDNMT1ALDH1A1 | |
| SCHEMBL27552574 | 0.80 | ALDH1A1 (0.44) | PIN1PIN4CYP2C9CYP2C19IDO1 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| 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 |