Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SIGMAR1 | Q99720 | 10/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.40 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.40 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.40 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.40 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.40 |
| ▸ | HTT | P42858 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL17526209 | 0.98 | SIGMAR1 (0.42) | SIGMAR1KDM4EALDH1A1SMN1; SMN2HRH3 | |
| SCHEMBL17528532 | 0.96 | SIGMAR1 (0.46) | SIGMAR1SLC6A2SLC6A4SLC6A3 | |
| SCHEMBL17528473 | 0.96 | KDM4E (0.43) | SIGMAR1KDM4EALDH1A1SMN1; SMN2HRH3 | |
| SCHEMBL17528525 | 0.94 | SIGMAR1 (0.46) | SIGMAR1KDM4EALDH1A1SMN1; SMN2SLC6A2 | |
| SCHEMBL17528528 | 0.94 | SIGMAR1 (0.47) | SIGMAR1SLC6A2SLC6A4SLC6A3 | |
| SCHEMBL17526293 | 0.94 | SIGMAR1 (0.47) | SIGMAR1SLC6A2SLC6A4SLC6A3 | |
| SCHEMBL17528468 | 0.92 | SIGMAR1 (0.47) | SIGMAR1KDM4EALDH1A1SMN1; SMN2SLC6A2 | |
| SCHEMBL17528540 | 0.92 | SIGMAR1 (0.49) | SIGMAR1SLC6A2SLC6A4SLC6A3 | |
| SCHEMBL17528493 | 0.91 | HTR1A (0.41) | SIGMAR1KDM4EALDH1A1SMN1; SMN2HRH3 | |
| SCHEMBL17528536 | 0.91 | LMNA (0.38) | SIGMAR1KDM4EALDH1A1SMN1; SMN2HRH3 |
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 |