Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | DPP4 | P27487 | 4/20 | 0.35 |
| ▸ | DPP8 | Q6V1X1 | 4/20 | 0.35 |
| ▸ | DPP9 | Q86TI2 | 4/20 | 0.35 |
| ▸ | DPP7 | Q9UHL4 | 4/20 | 0.35 |
| ▸ | SPHK2 | Q9NRA0 | 10/20 | 0.32 |
| ▸ | SPHK1 | Q9NYA1 | 8/20 | 0.32 |
| ▸ | PREP | P48147 | 2/20 | 0.31 |
| ▸ | PKM | P14618 | 1/20 | 0.31 |
| ▸ | CPT2 | P23786 | 1/20 | 0.31 |
| ▸ | CPT1A | P50416 | 1/20 | 0.31 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.31 |
| ▸ | GAA | P10253 | 1/20 | 0.31 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL19979749 | 0.86 | CYP3A4 (0.39) | ALDH1A1CYP3A4 | |
| SCHEMBL19979742 | 0.86 | CYP3A4 (0.39) | ALDH1A1CYP3A4 | |
| SCHEMBL19979747 | 0.83 | DPP4 (0.40) | DPP4DPP8DPP9DPP7SPHK2 | |
| SCHEMBL19979716 | 0.81 | ALDH1A1 (0.39) | DPP4DPP8DPP9DPP7PREP | |
| SCHEMBL19979715 | 0.81 | ALDH1A1 (0.39) | DPP4DPP8DPP9DPP7PREP | |
| SCHEMBL19979812 | 0.80 | HCRTR1 (0.38) | ALDH1A1 | |
| SCHEMBL19979809 | 0.64 | CYP1A2 (0.38) | ALDH1A1 | |
| SCHEMBL16934064 | 0.62 | ALDH1A1 (0.55) | SPHK2SPHK1ALDH1A1 | |
| SCHEMBL16933905 | 0.62 | ALDH1A1 (0.55) | SPHK2SPHK1ALDH1A1 | |
| SCHEMBL24824000 | 0.62 | PREP (0.46) | PREPCPT2CPT1ACYP3A4 |
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 |