Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.34 |
| ▸ | MEN1 | O00255 | 3/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.34 |
| ▸ | TSHR | P16473 | 1/20 | 0.34 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.34 |
| ▸ | HDAC8 | Q9BY41 | 3/20 | 0.34 |
| ▸ | EPHA2 | P29317 | 1/20 | 0.34 |
| ▸ | KDR | P35968 | 1/20 | 0.34 |
| ▸ | EPHB4 | P54760 | 1/20 | 0.34 |
| ▸ | CHRM2 | P08172 | 2/20 | 0.33 |
| ▸ | CHRM4 | P08173 | 2/20 | 0.33 |
| ▸ | CHRM5 | P08912 | 2/20 | 0.33 |
| ▸ | CHRM1 | P11229 | 2/20 | 0.33 |
| ▸ | CHRM3 | P20309 | 2/20 | 0.33 |
| ▸ | PRCP | P42785 | 1/20 | 0.33 |
| ▸ | CA1 | P00915 | 1/20 | 0.33 |
| ▸ | CA2 | P00918 | 1/20 | 0.33 |
| ▸ | DRD2 | P14416 | 1/20 | 0.33 |
| ▸ | GBA1 | P04062 | 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 | |
|---|---|---|---|---|
| SCHEMBL19979742 | 1.00 | CYP3A4 (0.39) | CYP3A4ALDH1A1MEN1KMT2ATSHR | |
| SCHEMBL19979716 | 0.90 | ALDH1A1 (0.39) | ALDH1A1MEN1KMT2ATSHRL3MBTL1 | |
| SCHEMBL19979715 | 0.90 | ALDH1A1 (0.39) | ALDH1A1MEN1KMT2ATSHRL3MBTL1 | |
| SCHEMBL19979810 | 0.86 | DPP4 (0.35) | CYP3A4ALDH1A1 | |
| SCHEMBL19979811 | 0.81 | HCRTR1 (0.38) | ALDH1A1TSHRPRCP | |
| SCHEMBL19979812 | 0.81 | HCRTR1 (0.38) | ALDH1A1TSHRPRCP | |
| SCHEMBL19975457 | 0.78 | MAOA (0.39) | ALDH1A1MEN1KMT2ATSHRL3MBTL1 | |
| SCHEMBL19979747 | 0.75 | DPP4 (0.40) | ALDH1A1TSHR | |
| SCHEMBL19979809 | 0.73 | CYP1A2 (0.38) | ALDH1A1MEN1KMT2ATSHRL3MBTL1 | |
| SCHEMBL30147129 | 0.72 | CYP1A2 (0.41) | ALDH1A1MEN1KMT2ATSHRL3MBTL1 |
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 |