Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.43 |
| ▸ | PDE4B | Q07343 | 4/20 | 0.42 |
| ▸ | MAPT | P10636 | 4/20 | 0.42 |
| ▸ | PDE4A | P27815 | 2/20 | 0.42 |
| ▸ | PDE4C | Q08493 | 2/20 | 0.42 |
| ▸ | PDE4D | Q08499 | 2/20 | 0.42 |
| ▸ | MEN1 | O00255 | 2/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.42 |
| ▸ | TSHR | P16473 | 1/20 | 0.42 |
| ▸ | ATM | Q13315 | 1/20 | 0.42 |
| ▸ | CYP1A1 | P04798 | 1/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.41 |
| ▸ | CYP2E1 | P05181 | 1/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.41 |
| ▸ | CYP2C8 | P10632 | 1/20 | 0.41 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.41 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.41 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.41 |
| ▸ | CYP4B1 | P13584 | 1/20 | 0.41 |
| ▸ | CYP2B6 | P20813 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL4928847 | 0.88 | PDE4B (0.35) | ALDH1A1PDE4BMAPTPDE4APDE4C | |
| SCHEMBL4853131 | 0.87 | ABL1 (0.36) | ALDH1A1MAPTCYP1A1CYP1A2CYP2E1 | |
| SCHEMBL455425 | 0.85 | MAPT (0.34) | ALDH1A1PDE4BMAPTPDE4APDE4C | |
| SCHEMBL4854196 | 0.79 | ABL1 (0.33) | CYP1A1CYP1A2CYP2E1CYP3A4CYP2C8 | |
| SCHEMBL357701 | 0.79 | CYP11B1 (0.40) | ALDH1A1PDE4BMAPTPDE4APDE4C | |
| SCHEMBL7468946 | 0.77 | CYP11B1 (0.42) | ALDH1A1PDE4BMAPTPDE4APDE4C | |
| SCHEMBL28926451 | 0.77 | PTPRC (0.49) | ALDH1A1MAPTMEN1KMT2ATSHR | |
| SCHEMBL28926431 | 0.76 | ERN1 (0.47) | ALDH1A1MAPTCYP1A1CYP1A2CYP1B1 | |
| SCHEMBL8617732 | 0.74 | CA9 (0.50) | ALDH1A1MAPTMEN1KMT2ATSHR | |
| Methoxy Aucuparin SCHEMBL8420787 | 0.74 | KDM4E (0.62) | ALDH1A1MAPTMEN1KMT2ACYP3A4 |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2011006886-A2 | AZOLE COMPOUNDS CARRYING A SULFUR SUBSTITUENT XIV | BASF SE (DE) | 2011-01-20 | — | — | WO | disclosed |
| EP-1144381-A2 | SUBSTITUTED BENZO[DE]ISOQUINOLINE-1,3-DIONES | MERCK PATENT GmbH (DE) | 2001-10-17 | — | — | EP | disclosed |
| EP-1133475-A1 | SUBSTITUTED BENZO DE]ISOQUINOLINE-1,3-DIONES | MERCK PATENT GmbH (DE) | 2001-09-19 | — | — | EP | disclosed |
| WO-2000032577-A2 | SUBSTITUTED BENZO[DE]ISOQUINOLINE-1,3-DIONES | MERCK PATENT GMBH (DE) | 2000-06-08 | — | — | WO | disclosed |
| WO-2000031039-A1 | SUBSTITUTED BENZO[DE]ISOQUINOLINE-1,3-DIONES | MERCK PATENT GMBH (DE) | 2000-06-02 | — | — | WO | disclosed |