Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KMT2A | Q03164 | 4/20 | 0.52 |
| ▸ | CXCR4 | P61073 | 1/20 | 0.51 |
| ▸ | POLB | P06746 | 3/20 | 0.49 |
| ▸ | TLR8 | Q9NR97 | 4/20 | 0.47 |
| ▸ | LMNA | P02545 | 3/20 | 0.45 |
| ▸ | MEN1 | O00255 | 3/20 | 0.45 |
| ▸ | NPC1 | O15118 | 1/20 | 0.45 |
| ▸ | RAB9A | P51151 | 1/20 | 0.45 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.45 |
| ▸ | RECQL | P46063 | 1/20 | 0.45 |
| ▸ | MAPT | P10636 | 1/20 | 0.45 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.44 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.44 |
| ▸ | HTT | P42858 | 1/20 | 0.44 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.43 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.43 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL14247558 | 0.92 | CXCR4 (0.52) | KMT2ACXCR4POLBTLR8LMNA | |
| SCHEMBL30581402 | 0.84 | KMT2A (0.67) | KMT2ACXCR4POLBTLR8LMNA | |
| SCHEMBL11715808 | 0.84 | CXCR4 (0.72) | KMT2ACXCR4POLBTLR8LMNA | |
| Bromide SCHEMBL11712562 | 0.82 | CXCR4 (0.70) | KMT2ACXCR4POLBTLR8LMNA | |
| SCHEMBL14247515 | 0.80 | KMT2A (0.47) | KMT2ACXCR4POLBTLR8MAPT | |
| SCHEMBL14247443 | 0.80 | KMT2A (0.47) | KMT2ACXCR4POLBTLR8CYP1A2 | |
| Hydrochloric Acid SCHEMBL14247462 | 0.78 | KMT2A (0.46) | KMT2ACXCR4POLBTLR8MAPT | |
| SCHEMBL14247241 | 0.77 | BACE1 (0.58) | KMT2ACXCR4POLBTLR8LMNA | |
| SCHEMBL14247313 | 0.77 | TLR8 (0.51) | KMT2ACXCR4POLBTLR8CYP1A2 | |
| SCHEMBL14247624 | 0.76 | TLR8 (0.47) | KMT2ACXCR4POLBTLR8CYP1A2 |
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 |