Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | BLM | P54132 | 2/20 | 0.47 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.47 |
| ▸ | ABL1 | P00519 | 1/20 | 0.47 |
| ▸ | POLB | P06746 | 1/20 | 0.47 |
| ▸ | ALPI | P09923 | 1/20 | 0.47 |
| ▸ | GAA | P10253 | 1/20 | 0.47 |
| ▸ | ALPG | P10696 | 1/20 | 0.47 |
| ▸ | APEX1 | P27695 | 1/20 | 0.47 |
| ▸ | CASP3 | P42574 | 1/20 | 0.47 |
| ▸ | RECQL | P46063 | 1/20 | 0.47 |
| ▸ | CASP7 | P55210 | 1/20 | 0.47 |
| ▸ | CASP6 | P55212 | 1/20 | 0.47 |
| ▸ | MCL1 | Q07820 | 1/20 | 0.47 |
| ▸ | RIN1 | Q13671 | 1/20 | 0.47 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.47 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.47 |
| ▸ | PDPK1 | O15530 | 1/20 | 0.44 |
| ▸ | MPO | P05164 | 1/20 | 0.44 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL4658680 | 0.81 | BLM (0.47) | BLMKDM4EALDH1A1ABL1POLB | |
| SCHEMBL4658683 | 0.81 | BLM (0.47) | BLMKDM4EALDH1A1ABL1POLB | |
| SCHEMBL5057390 | 0.80 | MDM2 (0.41) | BLMALDH1A1POLBALPIGAA | |
| SCHEMBL2574988 | 0.78 | PDPK1 (0.46) | BLMKDM4EALDH1A1ABL1POLB | |
| SCHEMBL2574989 | 0.78 | PDPK1 (0.46) | BLMKDM4EALDH1A1ABL1POLB | |
| SCHEMBL11349281 | 0.77 | SLC7A5 (0.67) | ALPIPDPK1SLC7A5ESR1ESR2 | |
| Bromide SCHEMBL6489944 | 0.76 | SLC7A5 (0.46) | BLMKDM4EALDH1A1ABL1POLB | |
| SCHEMBL9327806 | 0.73 | CA12 (0.53) | BLMKDM4EALDH1A1ABL1POLB | |
| Tyrosine SCHEMBL3360251 | 0.72 | SLC7A5 (0.80) | KDM4EALDH1A1ALPIRECQLTDP1 | |
| Tyrosine SCHEMBL3360245 | 0.72 | SLC7A5 (0.80) | KDM4EALDH1A1ALPIRECQLTDP1 |
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 |
|---|---|---|---|---|---|---|---|
| EP-0373590-B1 | Prodrugs of 3,4-hydroxy benzoyl-oxypropanolamines | DU PONT MERCK PHARMA (US) | 1994-03-02 | — | — | EP | disclosed |
| EP-0373590-A3 | PRODRUGS OF 3,4-HYDROXY BENZOYL-OXYPROPANOLAMINES | THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) | 1991-03-27 | — | — | EP | disclosed |
| EP-0373590-A2 | Prodrugs of 3,4-hydroxy benzoyl-oxypropanolamines | THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) | 1990-06-20 | — | — | EP | disclosed |