Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.37 |
| ▸ | TDP1 | Q9NUW8 | 4/20 | 0.37 |
| ▸ | HPRT1 | P00492 | 1/20 | 0.36 |
| ▸ | LMNA | P02545 | 2/20 | 0.35 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.35 |
| ▸ | MAPT | P10636 | 5/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.35 |
| ▸ | MEN1 | O00255 | 2/20 | 0.35 |
| ▸ | GAA | P10253 | 1/20 | 0.35 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.35 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.35 |
| ▸ | CRHBP | P24387 | 1/20 | 0.34 |
| ▸ | CRHR2 | Q13324 | 1/20 | 0.34 |
| ▸ | SMN1; SMN2 | Q16637 | 4/20 | 0.33 |
| ▸ | NPC1 | O15118 | 2/20 | 0.33 |
| ▸ | RAB9A | P51151 | 2/20 | 0.33 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.33 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.33 |
| ▸ | RELA | Q04206 | 1/20 | 0.33 |
| ▸ | CFTR | P13569 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL455952 | 0.69 | APP (0.34) | ALDH1A1TDP1HSD17B10MAPTKMT2A | |
| SCHEMBL3982745 | 0.69 | ALDH1A1 (0.47) | ALDH1A1TDP1LMNAHSD17B10MAPT | |
| SCHEMBL7825478 | 0.68 | ALDH1A1 (0.38) | ALDH1A1TDP1HPRT1LMNAMAPT | |
| SCHEMBL21625337 | 0.66 | NPC1 (0.45) | ALDH1A1TDP1LMNAMAPTKMT2A | |
| SCHEMBL12208008 | 0.66 | ACHE (0.44) | ALDH1A1HPRT1LMNAHSD17B10MAPT | |
| SCHEMBL455470 | 0.64 | HPGD (0.32) | ALDH1A1HSD17B10MAPTGAAL3MBTL1 | |
| SCHEMBL455859 | 0.62 | APP (0.31) | ALDH1A1CFTRGOPC | |
| SCHEMBL8022386 | 0.61 | ALDH1A1 (0.38) | ALDH1A1TDP1HPRT1LMNAMAPT | |
| SCHEMBL24514949 | 0.60 | ALDH1A1 (0.36) | ALDH1A1TDP1MAPTL3MBTL1SMN1; SMN2 | |
| SCHEMBL14192246 | 0.60 | CYP3A4 (0.64) | ALDH1A1TDP1LMNAHSD17B10MAPT |
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 |