Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.39 |
| ▸ | TSHR | P16473 | 5/20 | 0.39 |
| ▸ | EPHA2 | P29317 | 1/20 | 0.38 |
| ▸ | KDR | P35968 | 1/20 | 0.38 |
| ▸ | EPHB4 | P54760 | 1/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.37 |
| ▸ | L3MBTL1 | Q9Y468 | 3/20 | 0.37 |
| ▸ | MEN1 | O00255 | 2/20 | 0.37 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.37 |
| ▸ | LMNA | P02545 | 4/20 | 0.35 |
| ▸ | GAA | P10253 | 1/20 | 0.35 |
| ▸ | TP53 | P04637 | 2/20 | 0.34 |
| ▸ | MAPT | P10636 | 1/20 | 0.34 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.34 |
| ▸ | GLA | P06280 | 1/20 | 0.34 |
| ▸ | DPP4 | P27487 | 1/20 | 0.33 |
| ▸ | PREP | P48147 | 1/20 | 0.33 |
| ▸ | DPP8 | Q6V1X1 | 1/20 | 0.33 |
| ▸ | DPP9 | Q86TI2 | 1/20 | 0.33 |
| ▸ | DPP7 | Q9UHL4 | 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 | |
|---|---|---|---|---|
| SCHEMBL19979715 | 1.00 | ALDH1A1 (0.39) | ALDH1A1TSHREPHA2KDREPHB4 | |
| SCHEMBL19979749 | 0.90 | CYP3A4 (0.39) | ALDH1A1TSHREPHA2KDREPHB4 | |
| SCHEMBL19979742 | 0.90 | CYP3A4 (0.39) | ALDH1A1TSHREPHA2KDREPHB4 | |
| SCHEMBL19979747 | 0.82 | DPP4 (0.40) | ALDH1A1TSHRDPP4PREPDPP8 | |
| SCHEMBL19979809 | 0.82 | CYP1A2 (0.38) | ALDH1A1TSHREPHA2KDREPHB4 | |
| SCHEMBL30147129 | 0.81 | CYP1A2 (0.41) | ALDH1A1TSHREPHA2KDREPHB4 | |
| SCHEMBL19979810 | 0.81 | DPP4 (0.35) | ALDH1A1GAADPP4PREPDPP8 | |
| SCHEMBL19975457 | 0.74 | MAOA (0.39) | ALDH1A1TSHREPHA2KDREPHB4 | |
| SCHEMBL29176525 | 0.73 | CYP1A2 (0.38) | EPHA2KDREPHB4L3MBTL1CYP1A2 | |
| SCHEMBL29176527 | 0.73 | CYP1A2 (0.38) | EPHA2KDREPHB4L3MBTL1CYP1A2 |
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 |