Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | P2RX7 | Q99572 | 3/20 | 0.40 |
| ▸ | CCR1 | P32246 | 1/20 | 0.39 |
| ▸ | CCR5 | P51681 | 1/20 | 0.39 |
| ▸ | CCR8 | P51685 | 1/20 | 0.39 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.39 |
| ▸ | GRIA2 | P42262 | 1/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.36 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.36 |
| ▸ | ALOX5AP | P20292 | 2/20 | 0.34 |
| ▸ | METAP2 | P50579 | 1/20 | 0.34 |
| ▸ | BACE1 | P56817 | 2/20 | 0.33 |
| ▸ | KDM1A | O60341 | 1/20 | 0.33 |
| ▸ | MERTK | Q12866 | 1/20 | 0.32 |
| ▸ | PTGS2 | P35354 | 2/20 | 0.32 |
| ▸ | P2RX3 | P56373 | 2/20 | 0.31 |
| ▸ | P2RX2 | Q9UBL9 | 2/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL17486214 | 0.86 | BACE1 (0.32) | ALOX5APBACE1 | |
| SCHEMBL17486187 | 0.81 | DGAT1 (0.46) | — | |
| SCHEMBL17486140 | 0.77 | RARA (0.37) | ALOX5AP | |
| SCHEMBL18790585 | 0.76 | CCR1 (0.47) | P2RX7CCR1CCR5CCR8HDAC6 | |
| SCHEMBL22202855 | 0.72 | PGR (0.30) | — | |
| SCHEMBL22202500 | 0.70 | PDE7A (0.31) | — | |
| SCHEMBL12721334 | 0.70 | CCR1 (0.47) | P2RX7CCR1CCR5CCR8HDAC6 | |
| SCHEMBL15614861 | 0.69 | BACE2 (0.33) | BACE1KDM1A | |
| SCHEMBL17486216 | 0.69 | MAPK1 (0.37) | BACE1PTGS2 | |
| SCHEMBL22202605 | 0.68 | PGR (0.35) | CYP3A4 |
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 |
|---|---|---|---|---|---|---|---|
| EP-3174890-B1 | METAL COMPLEXES | MERCK PATENT GMBH (DE) | 2019-03-13 | — | — | EP | disclosed |