Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SLC6A3 | Q01959 | 4/20 | 0.43 |
| ▸ | SLC6A4 | P31645 | 3/20 | 0.43 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.43 |
| ▸ | SIGMAR1 | Q99720 | 16/20 | 0.43 |
| ▸ | GRIN2D | O15399 | 1/20 | 0.40 |
| ▸ | GRIN3B | O60391 | 1/20 | 0.40 |
| ▸ | TP53 | P04637 | 1/20 | 0.40 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.40 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.40 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.40 |
| ▸ | TSHR | P16473 | 1/20 | 0.40 |
| ▸ | GRIN1 | Q05586 | 1/20 | 0.40 |
| ▸ | GRIN2A | Q12879 | 1/20 | 0.40 |
| ▸ | GRIN2B | Q13224 | 1/20 | 0.40 |
| ▸ | GRIN2C | Q14957 | 1/20 | 0.40 |
| ▸ | GRIN3A | Q8TCU5 | 1/20 | 0.40 |
| ▸ | DRD2 | P14416 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL792210 | 0.87 | SLC6A3 (0.46) | SLC6A3SLC6A4SLC6A2SIGMAR1GRIN2D | |
| SCHEMBL20328718 | 0.85 | SIGMAR1 (0.45) | SLC6A3SLC6A4SLC6A2SIGMAR1GRIN2D | |
| SCHEMBL21348152 | 0.84 | SIGMAR1 (0.36) | SLC6A3SLC6A4SLC6A2SIGMAR1 | |
| SCHEMBL20332558 | 0.83 | SLC6A3 (0.43) | SLC6A3SLC6A4SLC6A2SIGMAR1GRIN2D | |
| SCHEMBL24731126 | 0.81 | PSMB1 (0.45) | SLC6A3SLC6A4SLC6A2CYP1A2CYP3A4 | |
| SCHEMBL19819796 | 0.81 | PSMB1 (0.45) | SLC6A3SLC6A4SLC6A2CYP1A2CYP3A4 | |
| SCHEMBL21348385 | 0.81 | SIGMAR1 (0.42) | SLC6A3SLC6A4SLC6A2SIGMAR1GRIN2D | |
| SCHEMBL23183571 | 0.81 | SLC6A3 (0.43) | SLC6A3SLC6A4SLC6A2SIGMAR1GRIN2D | |
| SCHEMBL21348320 | 0.80 | SLC6A3 (0.41) | SLC6A3SLC6A4SLC6A2SIGMAR1GRIN2D | |
| SCHEMBL791946 | 0.78 | SIGMAR1 (0.58) | SLC6A3SLC6A4SLC6A2SIGMAR1GRIN2D |
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 |
|---|---|---|---|---|---|---|---|
| EP-3267794-B1 | BIARYLTRIAZOLE INHIBITORS OF MACROPHAGE MIGRATION INHIBITORY FACTOR | UNIV YALE (US) | 2020-09-09 | — | — | EP | disclosed |