Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AAK1 | Q2M2I8 | 1/20 | 0.53 |
| ▸ | IDO1 | P14902 | 5/20 | 0.53 |
| ▸ | CACNA1H | O95180 | 3/20 | 0.51 |
| ▸ | CACNA1G | O43497 | 2/20 | 0.47 |
| ▸ | CACNA1C | Q13936 | 1/20 | 0.47 |
| ▸ | OPRL1 | P41146 | 1/20 | 0.44 |
| ▸ | F10 | P00742 | 1/20 | 0.43 |
| ▸ | PDE10A | Q9Y233 | 1/20 | 0.43 |
| ▸ | TXN | P10599 | 1/20 | 0.42 |
| ▸ | GRIN1 | Q05586 | 3/20 | 0.40 |
| ▸ | GRIN2B | Q13224 | 3/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.39 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.39 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.39 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.39 |
| ▸ | HPGD | P15428 | 1/20 | 0.39 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.39 |
| ▸ | HSD17B10 | Q99714 | 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 | |
|---|---|---|---|---|
| SCHEMBL1255527 | 0.81 | CACNA1H (0.43) | AAK1IDO1CACNA1HCACNA1GCACNA1C | |
| SCHEMBL21034171 | 0.81 | MEN1 (0.57) | AAK1IDO1CACNA1HCACNA1GCACNA1C | |
| Hydrochloric Acid SCHEMBL1512918 | 0.80 | CACNA1H (0.42) | AAK1IDO1CACNA1HCACNA1GCACNA1C | |
| SCHEMBL1257016 | 0.80 | CACNA1H (0.44) | AAK1IDO1CACNA1HCACNA1GCACNA1C | |
| SCHEMBL21034664 | 0.78 | AAK1 (0.50) | AAK1IDO1CACNA1HCACNA1GCACNA1C | |
| SCHEMBL21034692 | 0.76 | IDO1 (0.54) | AAK1IDO1CACNA1HCACNA1GCACNA1C | |
| SCHEMBL8809271 | 0.76 | AAK1 (0.51) | AAK1IDO1CACNA1HCACNA1GCACNA1C | |
| SCHEMBL21034524 | 0.76 | AAK1 (0.51) | AAK1IDO1CACNA1HCACNA1GCACNA1C | |
| SCHEMBL17516021 | 0.76 | AAK1 (0.51) | AAK1IDO1CACNA1HCACNA1GCACNA1C | |
| SCHEMBL21035092 | 0.76 | IDO1 (0.57) | AAK1IDO1CACNA1HCACNA1GCACNA1C |
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 |