Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SIGMAR1 | Q99720 | 18/20 | 0.51 |
| ▸ | SLC6A4 | P31645 | 2/20 | 0.47 |
| ▸ | SLC6A3 | Q01959 | 2/20 | 0.47 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.47 |
| ▸ | TP53 | P04637 | 2/20 | 0.46 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.46 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.46 |
| ▸ | TSHR | P16473 | 2/20 | 0.46 |
| ▸ | GRIN2D | O15399 | 1/20 | 0.46 |
| ▸ | GRIN3B | O60391 | 1/20 | 0.46 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.46 |
| ▸ | GRIN1 | Q05586 | 1/20 | 0.46 |
| ▸ | GRIN2A | Q12879 | 1/20 | 0.46 |
| ▸ | GRIN2B | Q13224 | 1/20 | 0.46 |
| ▸ | GRIN2C | Q14957 | 1/20 | 0.46 |
| ▸ | GRIN3A | Q8TCU5 | 1/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL18024046 | 0.98 | SIGMAR1 (0.53) | SIGMAR1SLC6A4SLC6A3SLC6A2TP53 | |
| SCHEMBL791946 | 0.89 | SIGMAR1 (0.58) | SIGMAR1SLC6A4SLC6A3SLC6A2TP53 | |
| SCHEMBL17539606 | 0.87 | SIGMAR1 (0.60) | SIGMAR1SLC6A4SLC6A3SLC6A2TP53 | |
| SCHEMBL18024042 | 0.85 | SIGMAR1 (0.41) | SIGMAR1TP53CYP1A2CYP2D6TSHR | |
| SCHEMBL17526218 | 0.84 | SIGMAR1 (0.58) | SIGMAR1SLC6A4SLC6A3SLC6A2TP53 | |
| SCHEMBL17528480 | 0.84 | SIGMAR1 (0.58) | SIGMAR1SLC6A4SLC6A3SLC6A2TP53 | |
| SCHEMBL791611 | 0.81 | SIGMAR1 (0.51) | SIGMAR1SLC6A4SLC6A3SLC6A2TP53 | |
| SCHEMBL17526228 | 0.80 | SIGMAR1 (0.55) | SIGMAR1SLC6A4SLC6A3SLC6A2TP53 | |
| SCHEMBL18024043 | 0.80 | CHRM3 (0.40) | SIGMAR1TP53CYP1A2CYP2D6TSHR | |
| SCHEMBL791900 | 0.79 | SIGMAR1 (0.50) | SIGMAR1SLC6A4SLC6A3SLC6A2TP53 |
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-2016130968-A1 | BIARYLTRIAZOLE INHIBITORS OF MACROPHAGE MIGRATION INHIBITORY FACTOR | YALE UNIVERSITY (US) | 2016-08-18 | — | — | WO | disclosed |