Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TNF | P01375 | 3/20 | 0.62 |
| ▸ | NOD2 | Q9HC29 | 2/20 | 0.62 |
| ▸ | NOD1 | Q9Y239 | 2/20 | 0.62 |
| ▸ | CXCL8 | P10145 | 1/20 | 0.62 |
| ▸ | SOS1 | Q07889 | 1/20 | 0.62 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.57 |
| ▸ | HTT | P42858 | 2/20 | 0.54 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.54 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.54 |
| ▸ | ALOX5AP | P20292 | 1/20 | 0.54 |
| ▸ | CXCR4 | P61073 | 1/20 | 0.54 |
| ▸ | POLB | P06746 | 2/20 | 0.51 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.49 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.49 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.49 |
| ▸ | HDAC7 | Q8WUI4 | 1/20 | 0.49 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.49 |
| ▸ | HDAC10 | Q969S8 | 1/20 | 0.49 |
| ▸ | HDAC11 | Q96DB2 | 1/20 | 0.49 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.49 |
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 | |
|---|---|---|---|---|
| SCHEMBL939417 | 0.84 | TNF (0.79) | TNFNOD2NOD1CXCL8SOS1 | |
| SCHEMBL7165480 | 0.82 | TNF (0.87) | TNFNOD2NOD1CXCL8SOS1 | |
| SCHEMBL14247363 | 0.82 | GABRA1 (0.52) | TNFNOD2NOD1CXCL8SOS1 | |
| SCHEMBL15426178 | 0.82 | TLR8 (0.52) | TNFNOD2NOD1CXCL8SOS1 | |
| SCHEMBL7168102 | 0.81 | KMT2A (0.71) | TNFNOD2NOD1CXCL8SOS1 | |
| SCHEMBL24142362 | 0.79 | ALDH1A1 (0.52) | CYP2D6ALOX5APPOLBHDAC3HDAC4 | |
| SCHEMBL18258220 | 0.78 | ALDH1A1 (0.51) | ALOX5APALDH1A1GABRA1GABRA5SRC | |
| SCHEMBL23361962 | 0.78 | KMT2A (0.66) | TNFNOD2NOD1CXCL8SOS1 | |
| SCHEMBL29995643 | 0.78 | TSHR (0.78) | KMT2AHTTALDH1A1MEN1 | |
| SCHEMBL26922470 | 0.78 | TSHR (0.78) | KMT2AHTTALDH1A1MEN1 |
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 |