Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ATP4A | P20648 | 2/20 | 0.36 |
| ▸ | ATP4B | P51164 | 2/20 | 0.36 |
| ▸ | DRD1 | P21728 | 3/20 | 0.33 |
| ▸ | SLC6A2 | P23975 | 2/20 | 0.33 |
| ▸ | SLC6A4 | P31645 | 2/20 | 0.33 |
| ▸ | SLC6A3 | Q01959 | 2/20 | 0.33 |
| ▸ | PTGER4 | P35408 | 1/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.32 |
| ▸ | MEN1 | O00255 | 1/20 | 0.32 |
| ▸ | NOS3 | P29474 | 1/20 | 0.32 |
| ▸ | NOS1 | P29475 | 1/20 | 0.32 |
| ▸ | NOS2 | P35228 | 1/20 | 0.32 |
| ▸ | HTT | P42858 | 1/20 | 0.31 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.31 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.31 |
| ▸ | SLC13A5 | Q86YT5 | 1/20 | 0.31 |
| ▸ | CDK8 | P49336 | 1/20 | 0.31 |
| ▸ | AOC1 | P19801 | 1/20 | 0.31 |
| ▸ | AOC3 | Q16853 | 1/20 | 0.31 |
| ▸ | MAPT | P10636 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL470990 | 0.85 | NOS3 (0.38) | DRD1PTGER4NOS3NOS1NOS2 | |
| SCHEMBL471096 | 0.83 | BACE1 (0.40) | DRD1PTGER4BACE1BACE2 | |
| SCHEMBL10005546 | 0.81 | DRD1 (0.33) | DRD1NOS3NOS1MAPTALDH1A1 | |
| SCHEMBL470986 | 0.75 | DRD1 (0.45) | DRD1SLC6A4PTGER4ALDH1A1BACE1 | |
| SCHEMBL470989 | 0.75 | DRD1 (0.46) | DRD1SLC6A2SLC6A4PTGER4CDK8 | |
| SCHEMBL470941 | 0.74 | SMN1; SMN2 (0.60) | DRD1L3MBTL1 | |
| SCHEMBL13211386 | 0.73 | NR4A1 (0.54) | KMT2AMEN1HTTMAPTALDH1A1 | |
| SCHEMBL471097 | 0.73 | AGXT (0.36) | ATP4AATP4BDRD1KMT2AMEN1 | |
| SCHEMBL10005544 | 0.72 | LTA4H (0.45) | DRD1BACE1BACE2 | |
| SCHEMBL470868 | 0.71 | NR4A1 (0.34) | DRD1KMT2AMEN1NOS3NOS1 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2012033091-A1 | PROCESS FOR PREPARING BENZOIC ACID ESTERS | 第一三共株式会社 (JP) | 2012-03-15 | — | — | WO | disclosed |
| WO-2010101164-A1 | PYRIDINE DERIVATIVE | 第一三共株式会社 (JP) | 2010-09-10 | — | — | WO | disclosed |