Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | DPP4 | P27487 | 2/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.33 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.33 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.33 |
| ▸ | POLB | P06746 | 1/20 | 0.33 |
| ▸ | MAPT | P10636 | 1/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.32 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.31 |
| ▸ | PYGL | P06737 | 1/20 | 0.31 |
| ▸ | PYGM | P11217 | 1/20 | 0.31 |
| ▸ | HTR2A | P28223 | 1/20 | 0.30 |
| ▸ | HTR2C | P28335 | 1/20 | 0.30 |
| ▸ | HTR2B | P41595 | 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 | |
|---|---|---|---|---|
| SCHEMBL19620536 | 0.89 | CYP1A2 (0.33) | CYP1A2CYP3A4CYP2C19KDM4EPOLB | |
| SCHEMBL22902028 | 0.87 | HTR2A (0.34) | DPP4CYP1A2CYP3A4CYP2C19HTR2A | |
| SCHEMBL19620529 | 0.87 | DPP4 (0.33) | DPP4CYP1A2CYP3A4CYP2C19 | |
| SCHEMBL19620539 | 0.86 | CYP1A2 (0.33) | CYP1A2CYP3A4CYP2C19KDM4EPOLB | |
| SCHEMBL19620621 | 0.84 | MAPT (0.49) | CYP1A2CYP3A4CYP2C19KDM4EPOLB | |
| SCHEMBL20367974 | 0.83 | MAPT (0.41) | KDM4EPOLBMAPTEPHX2 | |
| SCHEMBL19620599 | 0.83 | SMN1; SMN2 (0.33) | POLBSMN1; SMN2 | |
| SCHEMBL19620683 | 0.83 | HTR2C (0.32) | CYP1A2CYP3A4CYP2C19KDM4EPOLB | |
| SCHEMBL20368268 | 0.83 | HTR2C (0.34) | CYP1A2CYP3A4CYP2C19KDM4EPOLB | |
| SCHEMBL19620595 | 0.83 | KCNA5 (0.36) | CYP1A2CYP3A4CYP2C19KDM4EPOLB |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2897607-B1 | INHIBITORS OF BETA-HYDROLASE FOR TREATMENT OF CANCER | RHODE ISLAND HOSPITAL (US) | 2017-11-22 | — | — | EP | disclosed |