Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.34 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.34 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.34 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.34 |
| ▸ | GRM5 | P41594 | 1/20 | 0.33 |
| ▸ | HTR2A | P28223 | 1/20 | 0.32 |
| ▸ | HTR2C | P28335 | 1/20 | 0.32 |
| ▸ | HTR2B | P41595 | 1/20 | 0.32 |
| ▸ | MAPT | P10636 | 2/20 | 0.32 |
| ▸ | HPGD | P15428 | 1/20 | 0.32 |
| ▸ | GSK3B | P49841 | 1/20 | 0.31 |
| ▸ | ADK | P55263 | 1/20 | 0.31 |
| ▸ | MEN1 | O00255 | 2/20 | 0.31 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.31 |
| ▸ | DAO | P14920 | 2/20 | 0.31 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.31 |
| ▸ | POLB | P06746 | 1/20 | 0.31 |
| ▸ | ATM | Q13315 | 1/20 | 0.31 |
| ▸ | CTSB | P07858 | 1/20 | 0.31 |
| ▸ | MAOB | P27338 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL19620624 | 0.91 | MEN1 (0.37) | ALDH1A1CYP1A2CYP3A4CYP2C19GRM5 | |
| SCHEMBL19620451 | 0.89 | GPBAR1 (0.36) | CYP1A2CYP3A4CYP2C19HTR2AHTR2C | |
| SCHEMBL19620717 | 0.89 | CYP1A2 (0.33) | CYP1A2CYP3A4CYP2C19GSK3BADK | |
| SCHEMBL19620578 | 0.89 | HTR2A (0.34) | CYP1A2CYP3A4CYP2C19GRM5HTR2A | |
| SCHEMBL19620625 | 0.89 | CYP1A2 (0.34) | ALDH1A1CYP1A2CYP3A4CYP2C19HTR2C | |
| SCHEMBL19620515 | 0.87 | CYP1A2 (0.33) | CYP1A2CYP3A4CYP2C19GSK3BADK | |
| SCHEMBL19620507 | 0.85 | KDM4E (0.39) | ALDH1A1GRM5MAPTMEN1KMT2A | |
| SCHEMBL19620526 | 0.85 | HTR2C (0.33) | CYP1A2CYP3A4CYP2C19GRM5HTR2C | |
| SCHEMBL19620514 | 0.84 | KDM1A (0.33) | ALDH1A1CYP1A2CYP3A4CYP2C19MAPT | |
| SCHEMBL19620542 | 0.84 | POLB (0.42) | MAPTGSK3BADKMEN1KMT2A |
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 |