Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADORA2A | P29274 | 5/20 | 0.39 |
| ▸ | PDE4A | P27815 | 4/20 | 0.39 |
| ▸ | PDE4B | Q07343 | 4/20 | 0.39 |
| ▸ | PDE4C | Q08493 | 4/20 | 0.39 |
| ▸ | PDE4D | Q08499 | 4/20 | 0.39 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.38 |
| ▸ | BTK | Q06187 | 1/20 | 0.36 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.36 |
| ▸ | ADRA1B | P35368 | 1/20 | 0.36 |
| ▸ | MEN1 | O00255 | 2/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.36 |
| ▸ | LMNA | P02545 | 1/20 | 0.34 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.34 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.34 |
| ▸ | TSHR | P16473 | 1/20 | 0.34 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.34 |
| ▸ | BLM | P54132 | 1/20 | 0.34 |
| ▸ | PMP22 | Q01453 | 1/20 | 0.34 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.34 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL13384452 | 0.78 | SLC9A1 (0.47) | ADRA1AADRA1BLMNAHSP90AA1SLC9A1 | |
| SCHEMBL7521745 | 0.77 | ALDH1A1 (0.48) | MEN1KMT2ACYP3A4SMN1; SMN2HSP90AA1 | |
| SCHEMBL14639338 | 0.75 | ADORA2A (0.42) | ADORA2APDE4APDE4BPDE4CPDE4D | |
| SCHEMBL15614498 | 0.75 | ADORA2B (0.34) | ADORA2AADRA1AADRA1BLMNACYP3A4 | |
| SCHEMBL8876920 | 0.75 | SLC9A1 (0.53) | ADORA2APDE4APDE4BPDE4CPDE4D | |
| SCHEMBL12657637 | 0.73 | ADORA2A (0.41) | ADORA2APDE4APDE4BPDE4CPDE4D | |
| SCHEMBL16503636 | 0.73 | ALDH1A1 (0.35) | ADORA2BDAOALDH1A1 | |
| SCHEMBL27989701 | 0.73 | CYP1A2 (0.51) | ADORA2APDE4APDE4BPDE4CPDE4D | |
| SCHEMBL3581221 | 0.70 | — | — | |
| SCHEMBL19723176 | 0.69 | ALDH1A1 (0.35) | ALDH1A1 |
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 |
|---|---|---|---|---|---|---|---|
| US-7696210-B2 | Gonadotropin releasing hormone receptor antagonists | WYETH (US) | 2010-04-13 | — | — | US | disclosed |