Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SIGMAR1 | Q99720 | 15/20 | 0.50 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.46 |
| ▸ | TP53 | P04637 | 2/20 | 0.43 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.43 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.43 |
| ▸ | TSHR | P16473 | 2/20 | 0.43 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.43 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.43 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.43 |
| ▸ | GRIN2D | O15399 | 1/20 | 0.42 |
| ▸ | GRIN3B | O60391 | 1/20 | 0.42 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.42 |
| ▸ | GRIN1 | Q05586 | 1/20 | 0.42 |
| ▸ | GRIN2A | Q12879 | 1/20 | 0.42 |
| ▸ | GRIN2B | Q13224 | 1/20 | 0.42 |
| ▸ | GRIN2C | Q14957 | 1/20 | 0.42 |
| ▸ | GRIN3A | Q8TCU5 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL17519162 | 0.92 | SIGMAR1 (0.48) | SIGMAR1CHRM2 | |
| SCHEMBL22416397 | 0.90 | SIGMAR1 (0.47) | SIGMAR1CHRM2 | |
| SCHEMBL17519163 | 0.88 | SIGMAR1 (0.53) | SIGMAR1TP53CYP1A2CYP2D6TSHR | |
| SCHEMBL17526228 | 0.87 | SIGMAR1 (0.55) | SIGMAR1TP53CYP1A2CYP2D6TSHR | |
| SCHEMBL22416368 | 0.86 | SIGMAR1 (0.51) | SIGMAR1TP53CYP1A2CYP2D6TSHR | |
| SCHEMBL17539606 | 0.85 | SIGMAR1 (0.60) | SIGMAR1TP53CYP1A2CYP2D6TSHR | |
| SCHEMBL17519164 | 0.84 | SIGMAR1 (0.48) | SIGMAR1CHRM2 | |
| SCHEMBL17526298 | 0.83 | SIGMAR1 (0.39) | SIGMAR1CHRM2SLC6A4 | |
| SCHEMBL791946 | 0.83 | SIGMAR1 (0.58) | SIGMAR1TP53CYP1A2CYP2D6TSHR | |
| SCHEMBL17528480 | 0.83 | SIGMAR1 (0.58) | SIGMAR1TP53CYP1A2CYP2D6TSHR |
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-2016020200-A1 | NITROGEN-CONTAINING COMPOUNDS SUITABLE FOR USE IN THE PRODUCTION OF POLYURETHANES | EVONIK DEGUSSA GMBH (DE) | 2016-02-11 | — | — | WO | disclosed |