Predicted protein targets (top 4)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | RXRB | P28702 | 4/20 | 0.45 |
| ▸ | HSPB1 | P04792 | 1/20 | 0.44 |
| ▸ | TRPA1 | O75762 | 12/20 | 0.38 |
| ▸ | MAP4K4 | O95819 | 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 | |
|---|---|---|---|---|
| SCHEMBL21907353 | 0.88 | RXRB (0.46) | RXRB | |
| SCHEMBL21907351 | 0.87 | MEN1 (0.47) | RXRBMAP4K4 | |
| SCHEMBL21906498 | 0.81 | L3MBTL1 (0.44) | RXRBHSPB1 | |
| SCHEMBL21906531 | 0.80 | RXRB (0.46) | RXRBHSPB1TRPA1 | |
| SCHEMBL21906355 | 0.80 | HSPB1 (0.49) | RXRBHSPB1TRPA1MAP4K4 | |
| SCHEMBL21906696 | 0.76 | HTT (0.47) | RXRBMAP4K4 | |
| SCHEMBL24298069 | 0.72 | HSPB1 (0.52) | HSPB1TRPA1MAP4K4 | |
| SCHEMBL29808076 | 0.72 | HSPB1 (0.52) | HSPB1TRPA1MAP4K4 | |
| SCHEMBL20373268 | 0.71 | MBOAT4 (0.36) | — | |
| SCHEMBL21906702 | 0.70 | HTT (0.42) | RXRB |
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-2020079039-A1 | 4-PYRAZIN-2-YLMETHYL-MORPHOLINE DERIVATIVES AND THE USE THEREOF AS MEDICAMENT | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2020-04-23 | — | — | WO | disclosed |