Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR1 | P03372 | 1/20 | 0.51 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.51 |
| ▸ | CES2 | O00748 | 4/20 | 0.47 |
| ▸ | CES1 | P23141 | 4/20 | 0.47 |
| ▸ | BCHE | P06276 | 1/20 | 0.47 |
| ▸ | ALB | P02768 | 1/20 | 0.44 |
| ▸ | GAA | P10253 | 2/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.42 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.42 |
| ▸ | TAS1R3 | Q7RTX0 | 1/20 | 0.40 |
| ▸ | TAS1R1 | Q7RTX1 | 1/20 | 0.40 |
| ▸ | TAS1R2 | Q8TE23 | 1/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.40 |
| ▸ | HCRTR1 | O43613 | 1/20 | 0.40 |
| ▸ | HCRTR2 | O43614 | 1/20 | 0.40 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.39 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.38 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.38 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL4451884 | 0.81 | ESR1 (0.53) | ESR1ESR2CES2CES1BCHE | |
| SCHEMBL17040388 | 0.81 | ESR1 (0.53) | ESR1ESR2CES2CES1BCHE | |
| SCHEMBL29570483 | 0.81 | ALB (0.61) | ESR1ESR2CES2CES1BCHE | |
| SCHEMBL504015 | 0.81 | ALB (0.61) | ESR1ESR2CES2CES1BCHE | |
| SCHEMBL11476967 | 0.81 | ESR1 (0.53) | ESR1ESR2CES2CES1BCHE | |
| SCHEMBL3442002 | 0.79 | ALDH1A1 (0.63) | ESR1ESR2CES2CES1BCHE | |
| SCHEMBL2468641 | 0.79 | ESR1 (0.51) | ESR1ESR2CES2CES1BCHE | |
| SCHEMBL9539588 | 0.78 | ESR1 (0.49) | ESR1ESR2ALDH1A1TAS1R3TAS1R1 | |
| SCHEMBL2927655 | 0.78 | CES2 (0.65) | CES2CES1BCHEALBGAA | |
| Hydrochloric Acid SCHEMBL27873130 | 0.78 | ESR1 (0.50) | ESR1ESR2CES2CES1BCHE |
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 |
|---|---|---|---|---|---|---|---|
| WO-1993002077-A1 | BENZIMIDAZOLES | FISONS PLC (GB) | 1993-02-04 | — | — | WO | disclosed |
| EP-0526033-A1 | Benzimidazoles | FISONS plc (GB) | 1993-02-03 | — | — | EP | disclosed |