Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KEAP1 | Q14145 | 1/20 | 0.44 |
| ▸ | NFE2L2 | Q16236 | 1/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.44 |
| ▸ | TP53 | P04637 | 1/20 | 0.44 |
| ▸ | TSHR | P16473 | 1/20 | 0.44 |
| ▸ | CASP1 | P29466 | 1/20 | 0.44 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.44 |
| ▸ | POLB | P06746 | 1/20 | 0.43 |
| ▸ | APEX1 | P27695 | 1/20 | 0.43 |
| ▸ | MYC | P01106 | 1/20 | 0.42 |
| ▸ | NR4A1 | P22736 | 1/20 | 0.42 |
| ▸ | CTSB | P07858 | 1/20 | 0.42 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.42 |
| ▸ | CLCN2 | P51788 | 2/20 | 0.42 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.42 |
| ▸ | CA12 | O43570 | 1/20 | 0.42 |
| ▸ | CA1 | P00915 | 1/20 | 0.42 |
| ▸ | CA2 | P00918 | 1/20 | 0.42 |
| ▸ | CA3 | P07451 | 1/20 | 0.42 |
| ▸ | CA4 | P22748 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL448497 | 0.92 | KEAP1 (0.48) | KEAP1NFE2L2ALDH1A1TP53TSHR | |
| SCHEMBL15385122 | 0.84 | POLB (0.43) | ALDH1A1TSHRSMN1; SMN2POLBAPEX1 | |
| SCHEMBL19433388 | 0.84 | POLB (0.43) | ALDH1A1TSHRSMN1; SMN2POLBAPEX1 | |
| SCHEMBL4509916 | 0.84 | KEAP1 (0.44) | KEAP1NFE2L2ALDH1A1TP53TSHR | |
| SCHEMBL32668944 | 0.83 | KEAP1 (0.55) | KEAP1NFE2L2ALDH1A1TP53TSHR | |
| SCHEMBL979056 | 0.83 | KEAP1 (0.55) | KEAP1NFE2L2ALDH1A1TP53TSHR | |
| SCHEMBL3436916 | 0.83 | KDM4E (0.45) | KEAP1NFE2L2ALDH1A1LMNAHPGD | |
| SCHEMBL10628886 | 0.83 | ALDH1A1 (0.50) | ALDH1A1TP53TSHRCASP1SMN1; SMN2 | |
| SCHEMBL14453581 | 0.82 | CA12 (0.44) | ALDH1A1TSHRCASP1SMN1; SMN2POLB | |
| SCHEMBL364382 | 0.81 | KEAP1 (0.48) | KEAP1NFE2L2ALDH1A1TP53TSHR |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-9073954-B2 | 5-substituted benzimidazolium compounds | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2015-07-07 | — | — | US | disclosed |
| EP-0945435-B1 | NOVEL PYRIDONECARBOXYLIC ACID DERIVATIVES OR SALTS THEREOF AND DRUGS CONTAINING THE SAME AS THE ACTIVE INGREDIENT | WAKUNAGA PHARMA CO LTD (JP) | 2003-08-13 | — | — | EP | disclosed |
| US-6136823-A | BACTERICIDES OR VIRICIDES | WAKUNAGA PHARMACEUTICAL CO., LTD. (JP) | 2000-10-24 | — | — | US | disclosed |
| EP-0945435-A1 | NOVEL PYRIDONECARBOXYLIC ACID DERIVATIVES OR SALTS THEREOF AND DRUGS CONTAINING THE SAME AS THE ACTIVE INGREDIENT | WAKUNAGA PHARMACEUTICAL CO., LTD. (JP) | 1999-09-29 | — | — | EP | disclosed |