Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AAK1 | Q2M2I8 | 1/20 | 0.50 |
| ▸ | PDE10A | Q9Y233 | 1/20 | 0.48 |
| ▸ | CACNA1H | O95180 | 3/20 | 0.45 |
| ▸ | CACNA1G | O43497 | 2/20 | 0.43 |
| ▸ | CACNA1C | Q13936 | 1/20 | 0.41 |
| ▸ | IDO1 | P14902 | 4/20 | 0.39 |
| ▸ | BRS3 | P32247 | 4/20 | 0.39 |
| ▸ | TPH1 | P17752 | 2/20 | 0.39 |
| ▸ | TPH2 | Q8IWU9 | 2/20 | 0.39 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.36 |
| ▸ | GAA | P10253 | 1/20 | 0.36 |
| ▸ | HPGD | P15428 | 1/20 | 0.36 |
| ▸ | TSHR | P16473 | 1/20 | 0.36 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.36 |
| ▸ | PDE9A | O76083 | 1/20 | 0.36 |
| ▸ | NPC1 | O15118 | 1/20 | 0.36 |
| ▸ | RAB9A | P51151 | 1/20 | 0.36 |
| ▸ | CDC7 | O00311 | 1/20 | 0.36 |
| ▸ | CCNE1 | P24864 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL21034171 | 0.78 | MEN1 (0.57) | AAK1PDE10ACACNA1HCACNA1GCACNA1C | |
| SCHEMBL21033908 | 0.78 | AAK1 (0.53) | AAK1PDE10ACACNA1HCACNA1GCACNA1C | |
| SCHEMBL12111153 | 0.77 | GAA (0.56) | PDE10ABRS3TPH1TPH2ALDH1A1 | |
| SCHEMBL6941291 | 0.74 | PDE10A (0.50) | PDE10ACACNA1GBRS3TPH1TPH2 | |
| Hydrochloric Acid SCHEMBL27136123 | 0.74 | PDE10A (0.56) | PDE10ACACNA1HIDO1BRS3TPH1 | |
| SCHEMBL21034524 | 0.72 | AAK1 (0.51) | AAK1CACNA1HCACNA1GCACNA1CIDO1 | |
| SCHEMBL8809271 | 0.72 | AAK1 (0.51) | AAK1CACNA1HCACNA1GCACNA1CIDO1 | |
| SCHEMBL17516021 | 0.72 | AAK1 (0.51) | AAK1CACNA1HCACNA1GCACNA1CIDO1 | |
| SCHEMBL21034692 | 0.72 | IDO1 (0.54) | AAK1CACNA1HCACNA1GCACNA1CIDO1 | |
| SCHEMBL21034172 | 0.71 | IDO1 (0.57) | AAK1CACNA1HCACNA1GCACNA1CIDO1 |
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-2019101188-A1 | NOVEL BENZOIMIDAZOLES AS SELECTIVE INHIBITORS OF INDOLEAMINE 2, 3-DIOXYGENASES | BEIGENE, LTD. (GB) | 2019-05-31 | — | — | WO | disclosed |