Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KMT2A | Q03164 | 2/20 | 0.43 |
| ▸ | BACE1 | P56817 | 3/20 | 0.43 |
| ▸ | NUDT1 | P36639 | 1/20 | 0.43 |
| ▸ | RPS6KA5 | O75582 | 1/20 | 0.39 |
| ▸ | CXCR4 | P61073 | 1/20 | 0.38 |
| ▸ | TLR8 | Q9NR97 | 3/20 | 0.38 |
| ▸ | POLB | P06746 | 2/20 | 0.37 |
| ▸ | GRM2 | Q14416 | 1/20 | 0.36 |
| ▸ | NOD1 | Q9Y239 | 2/20 | 0.34 |
| ▸ | TNF | P01375 | 1/20 | 0.34 |
| ▸ | CXCL8 | P10145 | 1/20 | 0.34 |
| ▸ | SOS1 | Q07889 | 1/20 | 0.34 |
| ▸ | NOD2 | Q9HC29 | 1/20 | 0.34 |
| ▸ | CXCR3 | P49682 | 1/20 | 0.34 |
| ▸ | COPS5 | Q92905 | 1/20 | 0.34 |
| ▸ | GALR3 | O60755 | 1/20 | 0.34 |
| ▸ | NR2F2 | P24468 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL30581408 | 0.94 | KMT2A (0.47) | KMT2ABACE1NUDT1RPS6KA5CXCR4 | |
| Nitrous Acid SCHEMBL25426326 | 0.88 | POLB (0.44) | KMT2ABACE1NUDT1RPS6KA5POLB | |
| SCHEMBL30581414 | 0.81 | POLB (0.49) | KMT2ABACE1NUDT1RPS6KA5POLB | |
| SCHEMBL25252813 | 0.81 | JAK2 (0.53) | KMT2A | |
| SCHEMBL30586488 | 0.81 | JAK2 (0.53) | KMT2A | |
| SCHEMBL25294477 | 0.79 | KMT2A (0.44) | KMT2ABACE1NUDT1CXCR4TLR8 | |
| SCHEMBL30581438 | 0.79 | KMT2A (0.44) | KMT2ABACE1NUDT1CXCR4TLR8 | |
| SCHEMBL30581402 | 0.77 | KMT2A (0.67) | KMT2ACXCR4TLR8POLBGRM2 | |
| SCHEMBL25302212 | 0.76 | KMT2A (0.47) | KMT2ABACE1NUDT1CXCR4TLR8 | |
| SCHEMBL8284642 | 0.69 | HTT (0.42) | KMT2ABACE1NUDT1RPS6KA5CXCR4 |
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-2023131333-A1 | BENZIMIDAZOLE COMPOUND AND MEDICAL USE THEREOF | 中国科学院上海药物研究所 | 2023-07-13 | — | — | WO | disclosed |