Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CXCR4 | P61073 | 1/20 | 0.52 |
| ▸ | TLR8 | Q9NR97 | 5/20 | 0.48 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.47 |
| ▸ | POLB | P06746 | 2/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.42 |
| ▸ | MEN1 | O00255 | 2/20 | 0.42 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.42 |
| ▸ | S1PR2 | O95136 | 1/20 | 0.42 |
| ▸ | HPGD | P15428 | 1/20 | 0.42 |
| ▸ | HTR3A | P46098 | 1/20 | 0.42 |
| ▸ | ASAH1 | Q13510 | 1/20 | 0.41 |
| ▸ | BACE1 | P56817 | 1/20 | 0.41 |
| ▸ | LMNA | P02545 | 3/20 | 0.40 |
| ▸ | NPC1 | O15118 | 1/20 | 0.40 |
| ▸ | RAB9A | P51151 | 1/20 | 0.40 |
| ▸ | DAGLA | Q9Y4D2 | 1/20 | 0.40 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.39 |
| ▸ | HTT | P42858 | 2/20 | 0.39 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.39 |
| ▸ | CYP2D6 | P10635 | 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 | |
|---|---|---|---|---|
| SCHEMBL14247104 | 0.92 | KMT2A (0.52) | CXCR4TLR8KMT2APOLBMEN1 | |
| SCHEMBL14247241 | 0.81 | BACE1 (0.58) | CXCR4TLR8KMT2APOLBALDH1A1 | |
| SCHEMBL14247313 | 0.81 | TLR8 (0.51) | CXCR4TLR8KMT2APOLBBACE1 | |
| SCHEMBL14247515 | 0.77 | KMT2A (0.47) | CXCR4TLR8KMT2APOLBBACE1 | |
| SCHEMBL14247443 | 0.77 | KMT2A (0.47) | CXCR4TLR8KMT2APOLBBACE1 | |
| SCHEMBL14247802 | 0.77 | TLR8 (0.48) | CXCR4TLR8KMT2APOLBBACE1 | |
| Hydrochloric Acid SCHEMBL14247462 | 0.76 | KMT2A (0.46) | CXCR4TLR8KMT2APOLBBACE1 | |
| SCHEMBL30581402 | 0.76 | KMT2A (0.67) | CXCR4TLR8KMT2APOLBMEN1 | |
| SCHEMBL14247506 | 0.75 | TLR8 (0.46) | CXCR4TLR8KMT2APOLBALDH1A1 | |
| SCHEMBL11715808 | 0.75 | CXCR4 (0.72) | CXCR4TLR8KMT2APOLBMEN1 |
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 2 patents. 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 |
| WO-2012174312-A2 | BENZIMIDAZOLE DERIVATIVES AS ANTIVIRAL AGENTS | GLAXOSMITHKLINE LLC (US) | 2012-12-20 | — | — | WO | disclosed |