Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2A6 | P11509 | 1/20 | 0.41 |
| ▸ | CTRC | Q99895 | 2/20 | 0.37 |
| ▸ | CSNK2A1 | P68400 | 2/20 | 0.35 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.34 |
| ▸ | BACE1 | P56817 | 1/20 | 0.33 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.32 |
| ▸ | HPGD | P15428 | 3/20 | 0.32 |
| ▸ | LMNA | P02545 | 2/20 | 0.32 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.32 |
| ▸ | GLA | P06280 | 1/20 | 0.32 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.32 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.32 |
| ▸ | BCL2L1 | Q07817 | 1/20 | 0.32 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.32 |
| ▸ | ALOX5AP | P20292 | 1/20 | 0.32 |
| ▸ | FEN1 | P39748 | 1/20 | 0.32 |
| ▸ | MEN1 | O00255 | 3/20 | 0.31 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.31 |
| ▸ | HTT | P42858 | 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 | |
|---|---|---|---|---|
| SCHEMBL15286361 | 0.83 | AHR (0.36) | CYP2A6CYP1A2LMNAKDM4ESMN1; SMN2 | |
| SCHEMBL10428951 | 0.78 | BACE1 (0.36) | CYP2A6CTRCCSNK2A1CYP1A2BACE1 | |
| SCHEMBL456350 | 0.78 | CYP2A6 (0.44) | CYP2A6CTRCCSNK2A1CYP1A2BACE1 | |
| SCHEMBL4288205 | 0.78 | HSD17B1 (0.42) | CYP1A2TSHRAKR1C3AKR1C2CYP2C9 | |
| SCHEMBL6770609 | 0.78 | CYP2A6 (0.40) | CYP2A6ALDH1A1HPGDLMNASMN1; SMN2 | |
| SCHEMBL10475010 | 0.78 | PTPRC (0.34) | ALDH1A1HPGDKDM4ESMN1; SMN2MEN1 | |
| SCHEMBL12503755 | 0.75 | CYP2A6 (0.41) | CYP2A6CTRCCSNK2A1CYP1A2BACE1 | |
| SCHEMBL455577 | 0.75 | ALDH1A1 (0.41) | CYP2A6CTRCCSNK2A1CYP1A2BACE1 | |
| SCHEMBL455502 | 0.75 | BACE1 (0.33) | CYP2A6CYP1A2BACE1ALOX5ALDH1A1 | |
| SCHEMBL7814278 | 0.75 | CYP2A6 (0.41) | CYP2A6CTRCCSNK2A1CYP1A2BACE1 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| 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 |