Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NFE2L2 | Q16236 | 4/20 | 0.46 |
| ▸ | ERN1 | O75460 | 2/20 | 0.43 |
| ▸ | SMN1; SMN2 | Q16637 | 4/20 | 0.41 |
| ▸ | NPC1 | O15118 | 2/20 | 0.41 |
| ▸ | MAPT | P10636 | 2/20 | 0.41 |
| ▸ | HTT | P42858 | 2/20 | 0.41 |
| ▸ | RAB9A | P51151 | 2/20 | 0.41 |
| ▸ | HPGD | P15428 | 2/20 | 0.41 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.37 |
| ▸ | MEN1 | O00255 | 1/20 | 0.37 |
| ▸ | LMNA | P02545 | 3/20 | 0.37 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.37 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.37 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.37 |
| ▸ | GAA | P10253 | 1/20 | 0.37 |
| ▸ | PKM | P14618 | 1/20 | 0.37 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.36 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL30011286 | 0.80 | ALDH1A1 (0.54) | ERN1SMN1; SMN2TDP1KMT2AALDH1A1 | |
| SCHEMBL65723 | 0.80 | ERN1 (0.56) | NFE2L2ERN1ALDH1A1 | |
| SCHEMBL95211 | 0.80 | ALDH1A1 (0.54) | ERN1SMN1; SMN2TDP1KMT2AALDH1A1 | |
| Hydrochloric Acid SCHEMBL28994838 | 0.78 | ALDH1A1 (0.52) | ERN1SMN1; SMN2TDP1KMT2AALDH1A1 | |
| Hydrochloric Acid SCHEMBL29009133 | 0.78 | ALDH1A1 (0.52) | ERN1SMN1; SMN2TDP1KMT2AALDH1A1 | |
| Methylene Chloride SCHEMBL28191198 | 0.77 | ERN1 (0.48) | NFE2L2ERN1SMN1; SMN2HTTTDP1 | |
| SCHEMBL7009789 | 0.77 | ALDH1A1 (0.53) | NFE2L2ERN1SMN1; SMN2NPC1MAPT | |
| Methylene Chloride SCHEMBL28779667 | 0.75 | ALDH1A1 (0.48) | ERN1SMN1; SMN2HTTHPGDTDP1 | |
| Methyl Alcohol SCHEMBL27509189 | 0.75 | ALDH1A1 (0.48) | ERN1SMN1; SMN2NPC1RAB9ATDP1 | |
| SCHEMBL561472 | 0.73 | ERN1 (0.57) | NFE2L2ERN1SMN1; SMN2HTTTDP1 |
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 |
|---|---|---|---|---|---|---|---|
| EP-1214330-A1 | BENZIMIDAZOLE DERIVATIVES AND COMBINATORIAL LIBRARIES THEREOF | LION Bioscience AG (DE) | 2002-06-19 | — | — | EP | disclosed |
| WO-2001021634-A1 | BENZIMIDAZOLE DERIVATIVES AND COMBINATORIAL LIBRARIES THEREOF | LION BIOSCIENCE AG (DE) | 2001-03-29 | — | — | WO | disclosed |