Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | DPP4 | P27487 | 3/20 | 0.40 |
| ▸ | DPP8 | Q6V1X1 | 3/20 | 0.40 |
| ▸ | DPP9 | Q86TI2 | 3/20 | 0.40 |
| ▸ | DPP7 | Q9UHL4 | 3/20 | 0.40 |
| ▸ | GRM5 | P41594 | 4/20 | 0.36 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.35 |
| ▸ | SPHK2 | Q9NRA0 | 7/20 | 0.35 |
| ▸ | SPHK1 | Q9NYA1 | 5/20 | 0.35 |
| ▸ | CPT2 | P23786 | 2/20 | 0.35 |
| ▸ | CPT1A | P50416 | 2/20 | 0.35 |
| ▸ | PREP | P48147 | 1/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.35 |
| ▸ | TSHR | P16473 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL19979810 | 0.83 | DPP4 (0.35) | DPP4DPP8DPP9DPP7SPHK2 | |
| SCHEMBL19979716 | 0.82 | ALDH1A1 (0.39) | DPP4DPP8DPP9DPP7PREP | |
| SCHEMBL19979715 | 0.82 | ALDH1A1 (0.39) | DPP4DPP8DPP9DPP7PREP | |
| SCHEMBL19974983 | 0.78 | DPP4 (0.42) | DPP4DPP8DPP9DPP7GRM5 | |
| SCHEMBL19979742 | 0.75 | CYP3A4 (0.39) | ALDH1A1TSHR | |
| SCHEMBL19979749 | 0.75 | CYP3A4 (0.39) | ALDH1A1TSHR | |
| Trifluoroacetic Acid SCHEMBL19974982 | 0.74 | DPP4 (0.43) | DPP4DPP8DPP9DPP7GRM5 | |
| Trifluoroacetic Acid SCHEMBL19974984 | 0.74 | DPP4 (0.43) | DPP4DPP8DPP9DPP7GRM5 | |
| SCHEMBL15322317 | 0.69 | RAB9A (0.39) | DPP4SIGMAR1ALDH1A1 | |
| SCHEMBL18039886 | 0.69 | SIGMAR1 (0.39) | SIGMAR1CPT2CPT1A |
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 |