Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SIGMAR1 | Q99720 | 16/20 | 0.43 |
| ▸ | SLC6A4 | P31645 | 3/20 | 0.41 |
| ▸ | SLC6A3 | Q01959 | 3/20 | 0.41 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.41 |
| ▸ | TP53 | P04637 | 1/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.38 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.38 |
| ▸ | TSHR | P16473 | 1/20 | 0.38 |
| ▸ | LMNA | P02545 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL17528533 | 1.00 | SIGMAR1 (0.43) | SIGMAR1SLC6A4SLC6A3SLC6A2TP53 | |
| SCHEMBL17528497 | 0.97 | SIGMAR1 (0.44) | SIGMAR1SLC6A4SLC6A3SLC6A2TP53 | |
| SCHEMBL17528542 | 0.93 | SIGMAR1 (0.43) | SIGMAR1SLC6A4SLC6A3SLC6A2TP53 | |
| SCHEMBL17528536 | 0.93 | LMNA (0.38) | SIGMAR1SLC6A4SLC6A3SLC6A2LMNA | |
| SCHEMBL17528527 | 0.92 | LMNA (0.40) | SIGMAR1SLC6A4SLC6A3SLC6A2LMNA | |
| SCHEMBL17528521 | 0.92 | SIGMAR1 (0.43) | SIGMAR1SLC6A4SLC6A3SLC6A2TP53 | |
| SCHEMBL17526303 | 0.92 | SIGMAR1 (0.44) | SIGMAR1SLC6A4SLC6A3SLC6A2TP53 | |
| SCHEMBL17528523 | 0.92 | LMNA (0.39) | SIGMAR1SLC6A4SLC6A3SLC6A2LMNA | |
| SCHEMBL17528530 | 0.92 | SIGMAR1 (0.44) | SIGMAR1SLC6A4SLC6A3SLC6A2TP53 | |
| SCHEMBL17500347 | 0.92 | LMNA (0.39) | SIGMAR1SLC6A4SLC6A3SLC6A2LMNA |
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-2016020140-A2 | NITROGEN-CONTAINING COMPOUNDS SUITABLE FOR USE IN THE PRODUCTION OF POLYURETHANES | EVONIK DEGUSSA GMBH (DE) | 2016-02-11 | — | — | WO | disclosed |