Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TLR8 | Q9NR97 | 5/20 | 0.47 |
| ▸ | CXCR4 | P61073 | 1/20 | 0.45 |
| ▸ | POLB | P06746 | 1/20 | 0.43 |
| ▸ | NUDT1 | P36639 | 1/20 | 0.40 |
| ▸ | BACE1 | P56817 | 1/20 | 0.40 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.38 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.38 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.38 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.38 |
| ▸ | HTT | P42858 | 2/20 | 0.38 |
| ▸ | NOD1 | Q9Y239 | 4/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.38 |
| ▸ | CXCL8 | P10145 | 2/20 | 0.38 |
| ▸ | TP53 | P04637 | 1/20 | 0.38 |
| ▸ | TNF | P01375 | 2/20 | 0.37 |
| ▸ | NOD2 | Q9HC29 | 2/20 | 0.37 |
| ▸ | SOS1 | Q07889 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL14247515 | 0.81 | KMT2A (0.47) | TLR8CXCR4POLBNUDT1BACE1 | |
| Hydrochloric Acid SCHEMBL14247462 | 0.80 | KMT2A (0.46) | TLR8CXCR4POLBNUDT1BACE1 | |
| SCHEMBL17749547 | 0.74 | BACE1 (0.59) | TLR8CXCR4NUDT1BACE1HTT | |
| SCHEMBL14247313 | 0.73 | TLR8 (0.51) | TLR8CXCR4POLBNUDT1BACE1 | |
| SCHEMBL17749534 | 0.67 | PRPS1 (0.53) | TLR8CXCR4NUDT1BACE1HTT | |
| SCHEMBL14247443 | 0.66 | KMT2A (0.47) | TLR8CXCR4POLBNUDT1BACE1 | |
| SCHEMBL6199065 | 0.65 | CXCR4 (0.85) | TLR8CXCR4POLBCYP1A2CYP2D6 | |
| SCHEMBL2335115 | 0.65 | TLR8 (0.91) | TLR8CXCR4POLBCYP1A2CYP2D6 | |
| SCHEMBL12598294 | 0.65 | CYP1A2 (0.60) | TLR8POLBNUDT1BACE1CYP1A2 | |
| SCHEMBL12598790 | 0.64 | BACE1 (0.54) | TLR8CXCR4NUDT1BACE1NOD1 |
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-2012174312-A2 | BENZIMIDAZOLE DERIVATIVES AS ANTIVIRAL AGENTS | GLAXOSMITHKLINE LLC (US) | 2012-12-20 | — | — | WO | disclosed |