Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | IDO1 | P14902 | 4/20 | 0.54 |
| ▸ | AAK1 | Q2M2I8 | 1/20 | 0.51 |
| ▸ | CACNA1H | O95180 | 3/20 | 0.48 |
| ▸ | CACNA1G | O43497 | 2/20 | 0.48 |
| ▸ | PDE9A | O76083 | 1/20 | 0.46 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.44 |
| ▸ | RIPK1 | Q13546 | 1/20 | 0.44 |
| ▸ | CCNB2 | O95067 | 1/20 | 0.42 |
| ▸ | CDK1 | P06493 | 1/20 | 0.42 |
| ▸ | CCNB1 | P14635 | 1/20 | 0.42 |
| ▸ | GSK3A | P49840 | 1/20 | 0.42 |
| ▸ | GSK3B | P49841 | 1/20 | 0.42 |
| ▸ | CCNB3 | Q8WWL7 | 1/20 | 0.42 |
| ▸ | HRH4 | Q9H3N8 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.40 |
| ▸ | LMNA | P02545 | 1/20 | 0.40 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.39 |
| ▸ | OPRD1 | P41143 | 1/20 | 0.39 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.39 |
| ▸ | OPRL1 | P41146 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL8809271 | 0.82 | AAK1 (0.51) | IDO1AAK1CACNA1HCACNA1GTDP1 | |
| SCHEMBL17516021 | 0.82 | AAK1 (0.51) | IDO1AAK1CACNA1HCACNA1GLMNA | |
| SCHEMBL21034524 | 0.82 | AAK1 (0.51) | IDO1AAK1CACNA1HCACNA1GLMNA | |
| SCHEMBL21034198 | 0.81 | IDO1 (0.82) | IDO1CACNA1HCACNA1G | |
| SCHEMBL21034384 | 0.81 | IDO1 (0.82) | IDO1CACNA1HCACNA1G | |
| SCHEMBL21034383 | 0.81 | IDO1 (0.82) | IDO1CACNA1HCACNA1G | |
| SCHEMBL21034172 | 0.81 | IDO1 (0.57) | IDO1AAK1CACNA1HCACNA1GLMNA | |
| SCHEMBL21034102 | 0.80 | IDO1 (0.65) | IDO1AAK1CACNA1HCACNA1GTDP1 | |
| SCHEMBL21035054 | 0.79 | AAK1 (0.48) | IDO1AAK1CACNA1HCACNA1GCCNB2 | |
| SCHEMBL21035092 | 0.79 | IDO1 (0.57) | IDO1AAK1CACNA1HCACNA1GLMNA |
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 |