Predicted protein targets (top 3)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HCRTR1 | O43613 | 18/20 | 0.39 |
| ▸ | HCRTR2 | O43614 | 18/20 | 0.39 |
| ▸ | CPT1A | P50416 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL19975450 | 0.99 | HCRTR1 (0.39) | HCRTR1HCRTR2CPT1A | |
| Hydrochloric Acid SCHEMBL19975451 | 0.99 | HCRTR1 (0.39) | HCRTR1HCRTR2CPT1A | |
| SCHEMBL19975484 | 0.83 | HDAC8 (0.38) | HCRTR1HCRTR2 | |
| SCHEMBL19975485 | 0.83 | HDAC8 (0.38) | HCRTR1HCRTR2 | |
| SCHEMBL19979730 | 0.81 | HCRTR1 (0.36) | HCRTR1HCRTR2CPT1A | |
| SCHEMBL19979812 | 0.80 | HCRTR1 (0.38) | HCRTR1HCRTR2 | |
| SCHEMBL19979811 | 0.80 | HCRTR1 (0.38) | HCRTR1HCRTR2 | |
| SCHEMBL19975452 | 0.77 | HCRTR1 (0.42) | HCRTR1HCRTR2CPT1A | |
| SCHEMBL20235546 | 0.70 | HCRTR1 (0.40) | HCRTR1HCRTR2 | |
| SCHEMBL20235547 | 0.70 | HCRTR1 (0.38) | HCRTR1HCRTR2CPT1A |
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-2018053302-A1 | MACROCYCLIC COMPOUNDS FOR THE INHIBITION OF INDOLEAMINE-2,3-DIOXYGENASE ACTIVITY AND USE THEREOF | ENSEMBLE THERAPEUTICS CORPORATION (US) | 2018-03-22 | — | — | WO | disclosed |