Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SIGMAR1 | Q99720 | 12/20 | 0.75 |
| ▸ | CCR3 | P51677 | 2/20 | 0.75 |
| ▸ | MEN1 | O00255 | 1/20 | 0.66 |
| ▸ | TP53 | P04637 | 1/20 | 0.66 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.66 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.66 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.66 |
| ▸ | TSHR | P16473 | 1/20 | 0.66 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.66 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.66 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.59 |
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 | |
|---|---|---|---|---|
| SCHEMBL5365334 | 0.95 | SIGMAR1 (0.68) | SIGMAR1CCR3MEN1TP53CYP1A2 | |
| SCHEMBL3594852 | 0.89 | CCR3 (0.73) | SIGMAR1CCR3 | |
| Hydrochloric Acid SCHEMBL23124024 | 0.87 | CCR3 (0.71) | SIGMAR1CCR3 | |
| SCHEMBL7374609 | 0.86 | SIGMAR1 (1.00) | SIGMAR1CCR3MEN1TP53CYP1A2 | |
| SCHEMBL8091672 | 0.84 | SIGMAR1 (0.97) | SIGMAR1CCR3MEN1TP53CYP1A2 | |
| SCHEMBL3153756 | 0.84 | SIGMAR1 (0.75) | SIGMAR1CCR3MEN1TP53CYP1A2 | |
| SCHEMBL3154316 | 0.84 | SIGMAR1 (0.75) | SIGMAR1CCR3MEN1TP53CYP1A2 | |
| Hydrochloric Acid SCHEMBL7407431 | 0.84 | SIGMAR1 (0.97) | SIGMAR1CCR3MEN1TP53CYP1A2 | |
| SCHEMBL6700770 | 0.84 | SIGMAR1 (0.69) | SIGMAR1CCR3MEN1TP53CYP1A2 | |
| SCHEMBL7449796 | 0.84 | SIGMAR1 (0.74) | SIGMAR1CCR3MEN1TP53CYP1A2 |
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-7259157-B2 | N-substituted nonaryl-heterocyclo amidyl NMDA/NR2B Antagonists | MERCK & CO., INC. (US) | 2007-08-21 | — | — | US | disclosed |