Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.45 |
| ▸ | KDM4E | B2RXH2 | 5/20 | 0.45 |
| ▸ | PARP1 | P09874 | 1/20 | 0.40 |
| ▸ | ACHE | P22303 | 1/20 | 0.38 |
| ▸ | TNKS | O95271 | 1/20 | 0.38 |
| ▸ | TNKS2 | Q9H2K2 | 1/20 | 0.38 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.37 |
| ▸ | TP53 | P04637 | 2/20 | 0.37 |
| ▸ | CCNC | P24863 | 1/20 | 0.37 |
| ▸ | HTT | P42858 | 1/20 | 0.37 |
| ▸ | CDK8 | P49336 | 1/20 | 0.37 |
| ▸ | CDK19 | Q9BWU1 | 1/20 | 0.37 |
| ▸ | MAPT | P10636 | 4/20 | 0.36 |
| ▸ | HTR3A | P46098 | 1/20 | 0.35 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.35 |
| ▸ | GLA | P06280 | 1/20 | 0.35 |
| ▸ | MTHFD2 | P13995 | 1/20 | 0.35 |
| ▸ | HPGD | P15428 | 1/20 | 0.35 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.35 |
| ▸ | NPC1 | O15118 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL1035672 | 0.76 | ALDH1A1 (0.44) | ALDH1A1KDM4EPARP1ACHETNKS | |
| SCHEMBL1035636 | 0.68 | PARP1 (0.53) | ALDH1A1KDM4EPARP1TNKSTNKS2 | |
| SCHEMBL27013378 | 0.64 | ALDH1A1 (0.50) | ALDH1A1KDM4EPARP1ACHEHSD17B10 | |
| SCHEMBL28303828 | 0.64 | ALDH1A1 (0.68) | ALDH1A1KDM4EACHEHSD17B10TP53 | |
| SCHEMBL27013381 | 0.64 | KDM4E (0.50) | ALDH1A1KDM4EPARP1ACHEHSD17B10 | |
| SCHEMBL15572066 | 0.61 | ALDH1A1 (0.43) | ALDH1A1KDM4EPARP1ACHEHSD17B10 | |
| SCHEMBL15571527 | 0.60 | FABP3 (0.46) | ALDH1A1KDM4EPARP1ACHEHSD17B10 | |
| SCHEMBL27013389 | 0.60 | KDM4E (0.43) | ALDH1A1KDM4EPARP1ACHEHSD17B10 | |
| SCHEMBL14571457 | 0.60 | KDM4E (0.52) | ALDH1A1KDM4EACHETNKSTNKS2 | |
| SCHEMBL7127076 | 0.60 | ALDH1A1 (0.70) | ALDH1A1KDM4EACHEHSD17B10MAPT |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1856061-B1 | TETRAHYDRO- AND DIHYDROQUINAZOLINONES | MERCK PATENT GMBH (DE) | 2011-01-26 | — | — | EP | claimed |