Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NOS3 | P29474 | 1/20 | 0.38 |
| ▸ | NOS1 | P29475 | 1/20 | 0.38 |
| ▸ | NOS2 | P35228 | 1/20 | 0.38 |
| ▸ | PPARG | P37231 | 1/20 | 0.35 |
| ▸ | DRD1 | P21728 | 4/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.33 |
| ▸ | POLB | P06746 | 1/20 | 0.33 |
| ▸ | NR4A1 | P22736 | 1/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.32 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.32 |
| ▸ | MKNK1 | Q9BUB5 | 1/20 | 0.31 |
| ▸ | MKNK2 | Q9HBH9 | 1/20 | 0.31 |
| ▸ | PTGER4 | P35408 | 1/20 | 0.31 |
| ▸ | SCN9A | Q15858 | 1/20 | 0.30 |
| ▸ | LMNA | P02545 | 1/20 | 0.30 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.30 |
| ▸ | TSHR | P16473 | 1/20 | 0.30 |
| ▸ | APEX1 | P27695 | 1/20 | 0.30 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.30 |
| ▸ | CDK8 | P49336 | 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 | |
|---|---|---|---|---|
| SCHEMBL471096 | 0.86 | BACE1 (0.40) | PPARGDRD1NR4A1PTGER4 | |
| SCHEMBL470989 | 0.86 | DRD1 (0.46) | PPARGDRD1KDM4EPOLBPTGER4 | |
| SCHEMBL470986 | 0.86 | DRD1 (0.45) | PPARGDRD1KDM4EPOLBNR4A1 | |
| SCHEMBL470845 | 0.85 | ATP4A (0.36) | NOS3NOS1NOS2DRD1ALDH1A1 | |
| SCHEMBL10005546 | 0.84 | DRD1 (0.33) | NOS3NOS1DRD1KDM4EPOLB | |
| SCHEMBL470868 | 0.80 | NR4A1 (0.34) | NOS3NOS1NOS2DRD1NR4A1 | |
| SCHEMBL471097 | 0.79 | AGXT (0.36) | DRD1KDM4EPOLBALDH1A1LMNA | |
| SCHEMBL470941 | 0.77 | SMN1; SMN2 (0.60) | PPARGDRD1LMNACYP2C9TSHR | |
| SCHEMBL13211386 | 0.77 | NR4A1 (0.54) | KDM4EPOLBNR4A1ALDH1A1TSHR | |
| SCHEMBL10005544 | 0.75 | LTA4H (0.45) | PPARGDRD1LMNACYP2C9TSHR |
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 |