Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HDAC8 | Q9BY41 | 4/20 | 0.38 |
| ▸ | HDAC1 | Q13547 | 3/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.35 |
| ▸ | LMNA | P02545 | 1/20 | 0.35 |
| ▸ | HCRTR1 | O43613 | 8/20 | 0.35 |
| ▸ | HCRTR2 | O43614 | 8/20 | 0.35 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.34 |
| ▸ | HRH2 | P25021 | 2/20 | 0.34 |
| ▸ | HRH1 | P35367 | 2/20 | 0.34 |
| ▸ | CAPN1 | P07384 | 1/20 | 0.34 |
| ▸ | ITGB3 | P05106 | 1/20 | 0.33 |
| ▸ | ITGA2B | P08514 | 1/20 | 0.33 |
| ▸ | TSHR | P16473 | 1/20 | 0.33 |
| ▸ | DRD2 | P14416 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL19975484 | 1.00 | HDAC8 (0.38) | HDAC8HDAC1ALDH1A1LMNAHCRTR1 | |
| SCHEMBL19979731 | 0.83 | HCRTR1 (0.39) | HCRTR1HCRTR2 | |
| SCHEMBL19979730 | 0.83 | HCRTR1 (0.36) | ALDH1A1HCRTR1HCRTR2TSHR | |
| Hydrochloric Acid SCHEMBL19975450 | 0.82 | HCRTR1 (0.39) | HCRTR1HCRTR2 | |
| Hydrochloric Acid SCHEMBL19975451 | 0.82 | HCRTR1 (0.39) | HCRTR1HCRTR2 | |
| SCHEMBL19979812 | 0.82 | HCRTR1 (0.38) | ALDH1A1HCRTR1HCRTR2TSHR | |
| SCHEMBL19979811 | 0.82 | HCRTR1 (0.38) | ALDH1A1HCRTR1HCRTR2TSHR | |
| SCHEMBL19975452 | 0.79 | HCRTR1 (0.42) | ALDH1A1HCRTR1HCRTR2TSHR | |
| SCHEMBL20235546 | 0.76 | HCRTR1 (0.40) | HCRTR1HCRTR2 | |
| SCHEMBL20235547 | 0.74 | HCRTR1 (0.38) | HCRTR1HCRTR2 |
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 |