Known targets — ChEMBL curated mechanism
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
The experimentally established mechanism targets of Benzimidazole. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.
Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.46 |
| ▸ | PARP1 | P09874 | 2/20 | 0.46 |
| ▸ | PDPK1 | O15530 | 1/20 | 0.46 |
| ▸ | CA12 | O43570 | 1/20 | 0.46 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.46 |
| ▸ | CA9 | Q16790 | 1/20 | 0.46 |
| ▸ | TNKS2 | Q9H2K2 | 1/20 | 0.46 |
| ▸ | KDM4E | B2RXH2 | 5/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.44 |
| ▸ | RAB9A | P51151 | 3/20 | 0.44 |
| ▸ | HPGD | P15428 | 3/20 | 0.44 |
| ▸ | HTT | P42858 | 1/20 | 0.44 |
| ▸ | PRKCI | P41743 | 1/20 | 0.41 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.41 |
| ▸ | NAMPT | P43490 | 2/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.41 |
| ▸ | XDH | P47989 | 1/20 | 0.41 |
| ▸ | CTNNB1 | P35222 | 1/20 | 0.41 |
| ▸ | WNT3A | P56704 | 1/20 | 0.41 |
| ▸ | QPCT | Q16769 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| Benzimidazole SCHEMBL5539293 | 0.94 | SMN1; SMN2 (0.44) | SMN1; SMN2PARP1PDPK1CA12ALOX15 | |
| Benzimidazole SCHEMBL28467053 | 0.92 | RAB9A (0.45) | SMN1; SMN2PARP1PDPK1CA12ALOX15 | |
| Benzimidazole SCHEMBL28459336 | 0.92 | RAB9A (0.45) | SMN1; SMN2PARP1PDPK1CA12ALOX15 | |
| Pyrophosphoric Acid SCHEMBL28258906 | 0.91 | SMN1; SMN2 (0.42) | SMN1; SMN2PARP1PDPK1CA12ALOX15 | |
| Benzimidazole SCHEMBL28471251 | 0.89 | RAB9A (0.45) | SMN1; SMN2PARP1PDPK1CA12ALOX15 | |
| Benzimidazole SCHEMBL15092883 | 0.89 | RAB9A (0.45) | SMN1; SMN2PARP1PDPK1CA12ALOX15 | |
| Benzimidazole SCHEMBL28462564 | 0.89 | RAB9A (0.45) | SMN1; SMN2PARP1PDPK1CA12ALOX15 | |
| Benzimidazole SCHEMBL31595948 | 0.88 | SMN1; SMN2 (0.47) | SMN1; SMN2PARP1PDPK1CA12ALOX15 | |
| Benzimidazole SCHEMBL4969244 | 0.88 | SMN1; SMN2 (0.47) | SMN1; SMN2PARP1PDPK1CA12ALOX15 | |
| Benzimidazole SCHEMBL1760296 | 0.88 | SMN1; SMN2 (0.47) | SMN1; SMN2PARP1PDPK1CA12ALOX15 |
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 |
|---|---|---|---|---|---|---|---|
| CN-111714639-A | Composition comprising histamine release-promoting substance and benzimidazole derivative | 黄泳华 | 2020-09-29 | — | — | CN | disclosed |