Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GSK3B | P49841 | 8/20 | 0.39 |
| ▸ | ADK | P55263 | 4/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.35 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.35 |
| ▸ | LMNA | P02545 | 1/20 | 0.35 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.35 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.35 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.35 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.33 |
| ▸ | MAPT | P10636 | 3/20 | 0.32 |
| ▸ | TDP2 | O95551 | 1/20 | 0.32 |
| ▸ | HPGD | P15428 | 1/20 | 0.32 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.32 |
| ▸ | CASP3 | P42574 | 1/20 | 0.32 |
| ▸ | HTT | P42858 | 1/20 | 0.32 |
| ▸ | GALK1 | P51570 | 1/20 | 0.32 |
| ▸ | BLM | P54132 | 1/20 | 0.32 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.32 |
| ▸ | SENP8 | Q96LD8 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL19620528 | 0.83 | DPP4 (0.36) | ADKKDM4ECYP1A2CYP3A4CYP2C19 | |
| SCHEMBL19620625 | 0.83 | CYP1A2 (0.34) | KDM4EALDH1A1MAPK1CYP1A2CYP3A4 | |
| SCHEMBL19620526 | 0.83 | HTR2C (0.33) | KDM4ECYP1A2CYP3A4CYP2C19MAPT | |
| SCHEMBL19620512 | 0.83 | HTR2A (0.33) | ADKKDM4ECYP1A2CYP3A4CYP2C19 | |
| SCHEMBL19620504 | 0.82 | TP53 (0.43) | KDM4EALDH1A1CYP1A2CYP3A4CYP2C19 | |
| SCHEMBL19620571 | 0.81 | HTR2C (0.35) | KDM4EALDH1A1CYP1A2CYP3A4CYP2C19 | |
| SCHEMBL19620562 | 0.81 | HSD11B1 (0.39) | KDM4EALDH1A1LMNAMAPTHTT | |
| SCHEMBL19620603 | 0.81 | POLB (0.50) | ADKKDM4EALDH1A1MAPK1LMNA | |
| SCHEMBL19620537 | 0.81 | CYP1A2 (0.32) | ADKKDM4ELMNACYP1A2CYP3A4 | |
| SCHEMBL19620556 | 0.81 | CYP1A2 (0.32) | KDM4EALDH1A1CYP1A2CYP3A4CYP2C19 |
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 |