Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.33 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.33 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.33 |
| ▸ | DRD2 | P14416 | 1/20 | 0.31 |
| ▸ | DRD3 | P35462 | 1/20 | 0.31 |
| ▸ | NPC1 | O15118 | 1/20 | 0.31 |
| ▸ | RAB9A | P51151 | 1/20 | 0.31 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.30 |
| ▸ | POLB | P06746 | 1/20 | 0.30 |
| ▸ | MAPT | P10636 | 1/20 | 0.30 |
| ▸ | TRPV4 | Q9HBA0 | 1/20 | 0.30 |
| ▸ | LMNA | P02545 | 1/20 | 0.30 |
| ▸ | HTT | P42858 | 1/20 | 0.30 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.30 |
| ▸ | CYP11B1 | P15538 | 1/20 | 0.30 |
| ▸ | CYP11B2 | P19099 | 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 | |
|---|---|---|---|---|
| SCHEMBL19620529 | 0.89 | DPP4 (0.33) | CYP1A2CYP3A4CYP2C19DRD2DRD3 | |
| SCHEMBL19620692 | 0.89 | DPP4 (0.38) | CYP1A2CYP3A4CYP2C19KDM4EPOLB | |
| SCHEMBL22902028 | 0.85 | HTR2A (0.34) | CYP1A2CYP3A4CYP2C19LMNA | |
| SCHEMBL20367974 | 0.84 | MAPT (0.41) | RAB9AKDM4EPOLBMAPTLMNA | |
| SCHEMBL20368252 | 0.83 | MAPT (0.39) | KDM4EPOLBMAPT | |
| SCHEMBL19620595 | 0.83 | KCNA5 (0.36) | CYP1A2CYP3A4CYP2C19KDM4EPOLB | |
| SCHEMBL19620538 | 0.83 | KDM4E (0.37) | CYP1A2CYP3A4CYP2C19KDM4EPOLB | |
| SCHEMBL19620558 | 0.81 | KDM4E (0.34) | KDM4EPOLBMAPT | |
| SCHEMBL19620597 | 0.80 | DPP4 (0.38) | CYP1A2CYP3A4CYP2C19DRD2DRD3 | |
| SCHEMBL19620621 | 0.80 | MAPT (0.49) | CYP1A2CYP3A4CYP2C19RAB9AKDM4E |
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 |