Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | DRD1 | P21728 | 3/20 | 0.46 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.44 |
| ▸ | LMNA | P02545 | 1/20 | 0.44 |
| ▸ | TSHR | P16473 | 1/20 | 0.44 |
| ▸ | APEX1 | P27695 | 1/20 | 0.44 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.44 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.40 |
| ▸ | EGFR | P00533 | 1/20 | 0.38 |
| ▸ | PPARG | P37231 | 1/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.36 |
| ▸ | POLB | P06746 | 1/20 | 0.36 |
| ▸ | SCN9A | Q15858 | 2/20 | 0.36 |
| ▸ | LIPE | Q05469 | 3/20 | 0.34 |
| ▸ | BCHE | P06276 | 1/20 | 0.34 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.33 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.33 |
| ▸ | CDK8 | P49336 | 1/20 | 0.33 |
| ▸ | SCN5A | Q14524 | 1/20 | 0.33 |
| ▸ | CHUK | O15111 | 1/20 | 0.33 |
| ▸ | CCR2 | P41597 | 2/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL470941 | 0.88 | SMN1; SMN2 (0.60) | DRD1CYP2C9LMNATSHRAPEX1 | |
| SCHEMBL470990 | 0.86 | NOS3 (0.38) | DRD1CYP2C9LMNATSHRAPEX1 | |
| SCHEMBL10005544 | 0.86 | LTA4H (0.45) | DRD1CYP2C9LMNATSHRAPEX1 | |
| SCHEMBL470986 | 0.84 | DRD1 (0.45) | DRD1PPARGKDM4EPOLBSLC6A4 | |
| SCHEMBL10005546 | 0.82 | DRD1 (0.33) | DRD1SMN1; SMN2KDM4EPOLB | |
| SCHEMBL470868 | 0.78 | NR4A1 (0.34) | DRD1SMN1; SMN2SCN9A | |
| SCHEMBL471097 | 0.77 | AGXT (0.36) | DRD1CYP2C9LMNATSHRAPEX1 | |
| SCHEMBL471096 | 0.76 | BACE1 (0.40) | DRD1PPARGPTGER4 | |
| SCHEMBL470845 | 0.75 | ATP4A (0.36) | DRD1SLC6A2SLC6A4CDK8PTGER4 | |
| SCHEMBL13211386 | 0.74 | NR4A1 (0.54) | TSHRSMN1; SMN2MAPK1KDM4EPOLB |
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 |