Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | DRD1 | P21728 | 4/20 | 0.45 |
| ▸ | PPARG | P37231 | 1/20 | 0.37 |
| ▸ | BACE1 | P56817 | 5/20 | 0.35 |
| ▸ | BACE2 | Q9Y5Z0 | 5/20 | 0.35 |
| ▸ | PDE4A | P27815 | 1/20 | 0.33 |
| ▸ | PDE4B | Q07343 | 1/20 | 0.33 |
| ▸ | PDE4D | Q08499 | 1/20 | 0.33 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.33 |
| ▸ | PTGER4 | P35408 | 3/20 | 0.32 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.32 |
| ▸ | POLB | P06746 | 1/20 | 0.32 |
| ▸ | GCK | P35557 | 1/20 | 0.31 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.31 |
| ▸ | NR4A1 | P22736 | 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 | |
|---|---|---|---|---|
| SCHEMBL470990 | 0.86 | NOS3 (0.38) | DRD1PPARGPTGER4KDM4EPOLB | |
| SCHEMBL470989 | 0.84 | DRD1 (0.46) | DRD1PPARGSLC6A4PTGER4KDM4E | |
| SCHEMBL10005546 | 0.82 | DRD1 (0.33) | DRD1KDM4EPOLBALDH1A1 | |
| SCHEMBL471096 | 0.82 | BACE1 (0.40) | DRD1PPARGBACE1BACE2PDE4A | |
| SCHEMBL10005544 | 0.78 | LTA4H (0.45) | DRD1PPARGBACE1BACE2 | |
| SCHEMBL470868 | 0.78 | NR4A1 (0.34) | DRD1ALDH1A1NR4A1 | |
| SCHEMBL471097 | 0.77 | AGXT (0.36) | DRD1KDM4EPOLBALDH1A1 | |
| SCHEMBL470845 | 0.75 | ATP4A (0.36) | DRD1BACE1BACE2SLC6A4PTGER4 | |
| SCHEMBL30166991 | 0.75 | HDAC1 (0.47) | PDE4APDE4BPDE4DKDM4EGCK | |
| SCHEMBL470941 | 0.75 | SMN1; SMN2 (0.60) | DRD1PPARG |
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 |