Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.37 |
| ▸ | RAB9A | P51151 | 1/20 | 0.33 |
| ▸ | FPR2 | P25090 | 1/20 | 0.32 |
| ▸ | PROKR1 | Q8TCW9 | 1/20 | 0.32 |
| ▸ | MEN1 | O00255 | 1/20 | 0.30 |
| ▸ | LMNA | P02545 | 1/20 | 0.30 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.30 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.30 |
| ▸ | HTR1A | P08908 | 1/20 | 0.30 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.30 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.30 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.30 |
| ▸ | ADRA2B | P18089 | 1/20 | 0.30 |
| ▸ | HTR2C | P28335 | 1/20 | 0.30 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.30 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.30 |
| ▸ | DRD3 | P35462 | 1/20 | 0.30 |
| ▸ | HTR2B | P41595 | 1/20 | 0.30 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.30 |
| ▸ | KCNH2 | Q12809 | 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 | |
|---|---|---|---|---|
| SCHEMBL3381860 | 0.91 | ALDH1A1 (0.37) | ALDH1A1RAB9AFPR2PROKR1POLB | |
| SCHEMBL3358997 | 0.89 | MC4R (0.36) | ALDH1A1SIRT1 | |
| SCHEMBL3352172 | 0.87 | ALDH1A1 (0.35) | ALDH1A1RAB9AFPR2PROKR1LMNA | |
| SCHEMBL3386987 | 0.84 | ALDH1A1 (0.34) | ALDH1A1FPR2PROKR1 | |
| SCHEMBL2799068 | 0.84 | MC4R (0.37) | ALDH1A1SIRT1 | |
| SCHEMBL3355555 | 0.83 | CCR1 (0.34) | ALDH1A1RAB9AFPR2PROKR1LMNA | |
| SCHEMBL3354707 | 0.83 | ALDH1A1 (0.34) | ALDH1A1RAB9AFPR2PROKR1POLB | |
| SCHEMBL13330973 | 0.82 | ALDH1A1 (0.36) | ALDH1A1FPR2PROKR1MEN1LMNA | |
| SCHEMBL3354423 | 0.82 | LMNA (0.37) | ALDH1A1FPR2PROKR1LMNA | |
| SCHEMBL3352265 | 0.81 | ALDH1A1 (0.33) | ALDH1A1RAB9AFPR2PROKR1 |
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 |