Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR1 | P03372 | 1/20 | 0.45 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.45 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.42 |
| ▸ | GAA | P10253 | 2/20 | 0.42 |
| ▸ | ALB | P02768 | 1/20 | 0.41 |
| ▸ | CES2 | O00748 | 3/20 | 0.39 |
| ▸ | CES1 | P23141 | 3/20 | 0.39 |
| ▸ | BCHE | P06276 | 1/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.38 |
| ▸ | NPC1 | O15118 | 1/20 | 0.37 |
| ▸ | MAPT | P10636 | 1/20 | 0.37 |
| ▸ | HPGD | P15428 | 1/20 | 0.37 |
| ▸ | ACHE | P22303 | 1/20 | 0.36 |
| ▸ | TAS1R3 | Q7RTX0 | 1/20 | 0.35 |
| ▸ | TAS1R1 | Q7RTX1 | 1/20 | 0.35 |
| ▸ | TAS1R2 | Q8TE23 | 1/20 | 0.35 |
| ▸ | NOTUM | Q6P988 | 1/20 | 0.35 |
| ▸ | HCRTR1 | O43613 | 1/20 | 0.35 |
| ▸ | HCRTR2 | O43614 | 1/20 | 0.35 |
| ▸ | ALOX15 | P16050 | 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 | |
|---|---|---|---|---|
| SCHEMBL9539597 | 0.81 | ESR1 (0.44) | ESR1ESR2ALDH1A1GAAALB | |
| SCHEMBL24800775 | 0.81 | ESR1 (0.44) | ESR1ESR2ALDH1A1GAAALB | |
| SCHEMBL29570483 | 0.78 | ALB (0.61) | ESR1ESR2ALDH1A1GAAALB | |
| SCHEMBL504015 | 0.78 | ALB (0.61) | ESR1ESR2ALDH1A1GAAALB | |
| SCHEMBL24832679 | 0.78 | ESR1 (0.45) | ESR1ESR2ALDH1A1GAAALB | |
| SCHEMBL27323933 | 0.78 | ALDH1A1 (0.46) | ESR1ESR2ALDH1A1GAAALB | |
| SCHEMBL16959719 | 0.77 | ESR1 (0.47) | ESR1ESR2ALDH1A1GAAALB | |
| SCHEMBL7135408 | 0.77 | ESR1 (0.47) | ESR1ESR2ALDH1A1GAAALB | |
| SCHEMBL8701490 | 0.77 | TRPA1 (0.46) | ESR1ESR2ALDH1A1NPC1MAPT | |
| SCHEMBL30425979 | 0.77 | CES2 (0.54) | ALDH1A1GAAALBCES2CES1 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-1070400-A | Benzoglyoxaline | FISONS PLC (GB) | 1993-03-31 | — | — | CN | disclosed |
| WO-1993002077-A1 | BENZIMIDAZOLES | FISONS PLC (GB) | 1993-02-04 | — | — | WO | disclosed |
| EP-0526033-A1 | Benzimidazoles | FISONS plc (GB) | 1993-02-03 | — | — | EP | disclosed |