Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SIGMAR1 | Q99720 | 16/20 | 0.47 |
| ▸ | SLC6A4 | P31645 | 3/20 | 0.45 |
| ▸ | SLC6A3 | Q01959 | 3/20 | 0.45 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.45 |
| ▸ | TP53 | P04637 | 2/20 | 0.42 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.42 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.42 |
| ▸ | TSHR | P16473 | 2/20 | 0.42 |
| ▸ | GRIN2D | O15399 | 1/20 | 0.41 |
| ▸ | GRIN3B | O60391 | 1/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.41 |
| ▸ | GRIN1 | Q05586 | 1/20 | 0.41 |
| ▸ | GRIN2A | Q12879 | 1/20 | 0.41 |
| ▸ | GRIN2B | Q13224 | 1/20 | 0.41 |
| ▸ | GRIN2C | Q14957 | 1/20 | 0.41 |
| ▸ | GRIN3A | Q8TCU5 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL17528528 | 1.00 | SIGMAR1 (0.47) | SIGMAR1SLC6A4SLC6A3SLC6A2TP53 | |
| SCHEMBL17528468 | 0.98 | SIGMAR1 (0.47) | SIGMAR1SLC6A4SLC6A3SLC6A2TP53 | |
| SCHEMBL17528532 | 0.98 | SIGMAR1 (0.46) | SIGMAR1SLC6A4SLC6A3SLC6A2TP53 | |
| SCHEMBL17528525 | 0.96 | SIGMAR1 (0.46) | SIGMAR1SLC6A4SLC6A3SLC6A2 | |
| SCHEMBL17526209 | 0.96 | SIGMAR1 (0.42) | SIGMAR1SLC6A4SLC6A3SLC6A2 | |
| SCHEMBL17528473 | 0.94 | KDM4E (0.43) | SIGMAR1SLC6A4SLC6A3SLC6A2 | |
| SCHEMBL17528540 | 0.94 | SIGMAR1 (0.49) | SIGMAR1SLC6A4SLC6A3SLC6A2TP53 | |
| SCHEMBL17528491 | 0.94 | SIGMAR1 (0.50) | SIGMAR1SLC6A4SLC6A3SLC6A2TP53 | |
| SCHEMBL17528490 | 0.94 | SIGMAR1 (0.41) | SIGMAR1SLC6A4SLC6A3SLC6A2 | |
| SCHEMBL31249915 | 0.89 | KDM4E (0.40) | SIGMAR1SLC6A4SLC6A3SLC6A2 |
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-2016020137-A1 | NITROGEN-CONTAINING COMPOUNDS SUITABLE FOR USE IN THE PRODUCTION OF POLYURETHANES | EVONIK DEGUSSA GMBH (DE) | 2016-02-11 | — | — | WO | disclosed |