Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.32 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.32 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.32 |
| ▸ | ELANE | P08246 | 1/20 | 0.31 |
| ▸ | KIF11 | P52732 | 1/20 | 0.31 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.30 |
| ▸ | POLB | P06746 | 1/20 | 0.30 |
| ▸ | MAPT | P10636 | 1/20 | 0.30 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL19620526 | 0.89 | HTR2C (0.33) | CYP1A2CYP3A4CYP2C19KDM4EPOLB | |
| SCHEMBL19620537 | 0.87 | CYP1A2 (0.32) | CYP1A2CYP3A4CYP2C19KDM4EPOLB | |
| SCHEMBL19620717 | 0.86 | CYP1A2 (0.33) | CYP1A2CYP3A4CYP2C19 | |
| SCHEMBL19620625 | 0.85 | CYP1A2 (0.34) | CYP1A2CYP3A4CYP2C19KDM4EPOLB | |
| SCHEMBL22902037 | 0.85 | KDM1A (0.33) | ELANEKDM4EPOLBMAPTALDH1A1 | |
| SCHEMBL22902040 | 0.82 | NPSR1 (0.37) | CYP1A2CYP3A4CYP2C19KIF11KDM4E | |
| SCHEMBL19620527 | 0.81 | ALDH1A1 (0.34) | CYP1A2CYP3A4CYP2C19KDM4EPOLB | |
| SCHEMBL19620571 | 0.81 | HTR2C (0.35) | CYP1A2CYP3A4CYP2C19KDM4EPOLB | |
| SCHEMBL19620552 | 0.81 | GSK3B (0.39) | CYP1A2CYP3A4CYP2C19ELANEKDM4E | |
| SCHEMBL19620562 | 0.81 | HSD11B1 (0.39) | KDM4EMAPTALDH1A1 |
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-3345596-B1 | INHIBITORS OF BETA-HYDROLASE FOR TREATMENT OF CANCER | RHODE ISLAND HOSPITAL (US) | 2021-01-20 | — | — | EP | disclosed |
| EP-3345596-A2 | INHIBITORS OF BETA-HYDROLASE FOR TREATMENT OF CANCER | RHODE ISLAND HOSPITAL (US) | 2018-07-11 | — | — | EP | disclosed |
| EP-2897607-B1 | INHIBITORS OF BETA-HYDROLASE FOR TREATMENT OF CANCER | RHODE ISLAND HOSPITAL (US) | 2017-11-22 | — | — | EP | disclosed |