Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GRIN1 | Q05586 | 2/20 | 0.46 |
| ▸ | GRIN2B | Q13224 | 2/20 | 0.46 |
| ▸ | GMNN | O75496 | 1/20 | 0.46 |
| ▸ | TP53 | P04637 | 1/20 | 0.46 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.46 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.46 |
| ▸ | TSHR | P16473 | 1/20 | 0.46 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.46 |
| ▸ | THPO | P40225 | 1/20 | 0.46 |
| ▸ | MTOR | P42345 | 1/20 | 0.46 |
| ▸ | BLM | P54132 | 1/20 | 0.46 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.46 |
| ▸ | HTR1A | P08908 | 3/20 | 0.43 |
| ▸ | SIGMAR1 | Q99720 | 3/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.40 |
| ▸ | DRD2 | P14416 | 1/20 | 0.40 |
| ▸ | ADRA1D | P25100 | 1/20 | 0.40 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.40 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.40 |
| ▸ | ADRA1B | P35368 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL3355773 | 0.80 | MCHR1 (0.37) | SIGMAR1DRD2MCHR1HRH4HRH3 | |
| SCHEMBL3355776 | 0.79 | HRH4 (0.38) | TP53SIGMAR1DRD2MCHR1HRH4 | |
| SCHEMBL3353721 | 0.75 | DRD4 (0.39) | CYP3A4MCHR1 | |
| SCHEMBL3355815 | 0.73 | CYP19A1 (0.36) | ALDH1A1 | |
| SCHEMBL3354901 | 0.71 | CYP19A1 (0.38) | TP53ALDH1A1KDM4E | |
| SCHEMBL13308188 | 0.71 | ATF4 (0.58) | CYP3A4SIGMAR1MCHR1MAPT | |
| SCHEMBL3352352 | 0.71 | KDM4E (0.42) | CYP3A4NPSR1SLC6A4ADRA1AKDM4E | |
| SCHEMBL3354481 | 0.70 | ATF4 (0.41) | ALDH1A1 | |
| SCHEMBL3388463 | 0.70 | ADAMTS5 (0.33) | — | |
| SCHEMBL3355002 | 0.69 | CCR1 (0.54) | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2010068881-A1 | NOVEL BENZODIOXANE AND BENZOXAZINE DERIVATIVES USEFUL AS CC CHEMOKINE RECEPTOR LIGANDS | FOREST LABORATORIES HOLDINGS LIMITED (BM) | 2010-06-17 | — | — | WO | disclosed |