Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AAK1 | Q2M2I8 | 4/20 | 0.39 |
| ▸ | RHEB | Q15382 | 3/20 | 0.33 |
| ▸ | GPR84 | Q9NQS5 | 1/20 | 0.33 |
| ▸ | CACNA1H | O95180 | 1/20 | 0.32 |
| ▸ | CACNA1B | Q00975 | 1/20 | 0.32 |
| ▸ | CACNA1C | Q13936 | 1/20 | 0.32 |
| ▸ | PKM | P14618 | 1/20 | 0.32 |
| ▸ | NOS3 | P29474 | 1/20 | 0.31 |
| ▸ | NOS1 | P29475 | 1/20 | 0.31 |
| ▸ | NOS2 | P35228 | 1/20 | 0.31 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.31 |
| ▸ | GCGR | P47871 | 1/20 | 0.30 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.30 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.30 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.30 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.30 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.30 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.30 |
| ▸ | HTT | P42858 | 1/20 | 0.30 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL2872637 | 0.82 | AAK1 (0.36) | AAK1CACNA1HCACNA1BCACNA1CPKM | |
| SCHEMBL2872949 | 0.81 | KDM4E (0.36) | AAK1RHEBCYP1A2CYP3A4CYP2D6 | |
| SCHEMBL2873807 | 0.79 | AAK1 (0.35) | AAK1PKMTDP1GCGRHTT | |
| SCHEMBL2873804 | 0.70 | AAK1 (0.34) | AAK1TDP1GCGRHTT | |
| SCHEMBL2874959 | 0.70 | — | — | |
| SCHEMBL2866756 | 0.68 | SMN1; SMN2 (0.36) | AAK1PKMHTTNPSR1 | |
| SCHEMBL2875444 | 0.65 | KMT2A (0.40) | AAK1RHEBCACNA1HCACNA1BCACNA1C | |
| SCHEMBL11222676 | 0.62 | KMT2A (0.68) | RHEBCACNA1BTDP1HTTNPSR1 | |
| SCHEMBL6753981 | 0.61 | AAK1 (0.45) | AAK1GPR84 | |
| SCHEMBL6756268 | 0.61 | AAK1 (0.45) | AAK1TDP1 |
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-2010103306-A1 | BENZIMIDAZOLE DERIVATIVES AND THEIR USE AS ANTIVARAL AGENTS | ASTRAZENECA UK LIMITED (GB) | 2010-09-16 | — | — | WO | disclosed |