Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CXCR4 | P61073 | 1/20 | 0.68 |
| ▸ | POLB | P06746 | 2/20 | 0.64 |
| ▸ | TLR8 | Q9NR97 | 3/20 | 0.60 |
| ▸ | NPC1 | O15118 | 1/20 | 0.60 |
| ▸ | GAA | P10253 | 1/20 | 0.60 |
| ▸ | RAB9A | P51151 | 1/20 | 0.60 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.60 |
| ▸ | CXCL8 | P10145 | 2/20 | 0.59 |
| ▸ | NOD1 | Q9Y239 | 2/20 | 0.59 |
| ▸ | TNF | P01375 | 1/20 | 0.59 |
| ▸ | SOS1 | Q07889 | 1/20 | 0.59 |
| ▸ | NOD2 | Q9HC29 | 1/20 | 0.59 |
| ▸ | HTT | P42858 | 2/20 | 0.58 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.58 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.58 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.54 |
| ▸ | MEN1 | O00255 | 1/20 | 0.51 |
| ▸ | TP53 | P04637 | 1/20 | 0.51 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.50 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.50 |
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 | |
|---|---|---|---|---|
| SCHEMBL11715808 | 0.90 | CXCR4 (0.72) | CXCR4POLBTLR8NPC1RAB9A | |
| Bromide SCHEMBL11712562 | 0.89 | CXCR4 (0.70) | CXCR4POLBTLR8NPC1RAB9A | |
| SCHEMBL30581402 | 0.88 | KMT2A (0.67) | CXCR4POLBTLR8RAB9ACXCL8 | |
| SCHEMBL6199065 | 0.84 | CXCR4 (0.85) | CXCR4POLBTLR8CXCL8NOD1 | |
| SCHEMBL23361965 | 0.82 | NOD1 (0.56) | CXCR4POLBTLR8RAB9ACXCL8 | |
| SCHEMBL6196399 | 0.81 | CXCR4 (1.00) | CXCR4POLBTLR8CXCL8NOD1 | |
| SCHEMBL7164854 | 0.81 | CXCR4 (0.93) | CXCR4POLBTLR8CXCL8NOD1 | |
| SCHEMBL11712432 | 0.81 | NOD1 (0.72) | CXCR4POLBTLR8RAB9ACXCL8 | |
| SCHEMBL7165480 | 0.80 | TNF (0.87) | CXCR4POLBTLR8RAB9ACXCL8 | |
| SCHEMBL14447553 | 0.80 | CXCR4 (0.96) | CXCR4POLBTLR8CXCL8NOD1 |
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-2021096314-A1 | NOVEL BENZIMIDAZOLE DERIVATIVE AND USE THEREOF | 가천대학교 산학협력단 | 2021-05-20 | — | — | WO | disclosed |