Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KCNA5 | P22460 | 1/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.36 |
| ▸ | POLB | P06746 | 1/20 | 0.36 |
| ▸ | MAPT | P10636 | 1/20 | 0.36 |
| ▸ | SLC6A2 | P23975 | 4/20 | 0.32 |
| ▸ | SLC6A3 | Q01959 | 4/20 | 0.32 |
| ▸ | SLC6A4 | P31645 | 3/20 | 0.32 |
| ▸ | F10 | P00742 | 1/20 | 0.31 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.30 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.30 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.30 |
| ▸ | PPARG | P37231 | 1/20 | 0.30 |
| ▸ | PPARA | Q07869 | 1/20 | 0.30 |
| ▸ | BACE1 | P56817 | 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 | |
|---|---|---|---|---|
| SCHEMBL19620558 | 0.90 | KDM4E (0.34) | KDM4EPOLBMAPTSLC6A2SLC6A4 | |
| SCHEMBL20367974 | 0.87 | MAPT (0.41) | KCNA5KDM4EPOLBMAPTSLC6A3 | |
| SCHEMBL20368252 | 0.87 | MAPT (0.39) | KDM4EPOLBMAPTSLC6A3 | |
| SCHEMBL19620538 | 0.86 | KDM4E (0.37) | KDM4EPOLBMAPTCYP1A2CYP3A4 | |
| SCHEMBL19620621 | 0.86 | MAPT (0.49) | KDM4EPOLBMAPTSLC6A3CYP1A2 | |
| SCHEMBL19620645 | 0.84 | KDM4E (0.36) | KDM4EPOLBMAPTCYP1A2CYP3A4 | |
| SCHEMBL19620536 | 0.83 | CYP1A2 (0.33) | KDM4EPOLBMAPTCYP1A2CYP3A4 | |
| SCHEMBL19620692 | 0.83 | DPP4 (0.38) | KDM4EPOLBMAPTCYP1A2CYP3A4 | |
| SCHEMBL15627599 | 0.83 | KDM4E (0.41) | KDM4EPOLBMAPTSLC6A3 | |
| SCHEMBL19620602 | 0.83 | NPSR1 (0.43) | KDM4EPOLBCYP3A4CYP2C19 |
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 |
|---|---|---|---|---|---|---|---|
| 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 |