Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AKR1B1 | P15121 | 2/20 | 0.42 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.40 |
| ▸ | POLB | P06746 | 1/20 | 0.40 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.40 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.40 |
| ▸ | ADAMTS5 | Q9UNA0 | 3/20 | 0.37 |
| ▸ | MMP12 | P39900 | 1/20 | 0.35 |
| ▸ | CSNK1G1 | Q9HCP0 | 1/20 | 0.34 |
| ▸ | GAA | P10253 | 3/20 | 0.34 |
| ▸ | MGAM | O43451 | 1/20 | 0.34 |
| ▸ | SI | P14410 | 1/20 | 0.34 |
| ▸ | MGAM2 | Q2M2H8 | 1/20 | 0.34 |
| ▸ | PDK2 | Q15119 | 1/20 | 0.33 |
| ▸ | PDK4 | Q16654 | 1/20 | 0.33 |
| ▸ | BRD4 | O60885 | 1/20 | 0.33 |
| ▸ | ROS1 | P08922 | 1/20 | 0.33 |
| ▸ | CDK5 | Q00535 | 1/20 | 0.33 |
| ▸ | ACVR1 | Q04771 | 1/20 | 0.33 |
| ▸ | LRRK2 | Q5S007 | 1/20 | 0.33 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL7433946 | 0.77 | PDK2 (0.57) | AKR1B1CYP1A2POLBCYP3A4CYP2C19 | |
| SCHEMBL23972238 | 0.74 | AKR1B1 (0.45) | AKR1B1CYP1A2POLBCYP3A4CYP2C19 | |
| SCHEMBL11225066 | 0.72 | CYP1A2 (0.51) | AKR1B1CYP1A2POLBCYP3A4CYP2C19 | |
| SCHEMBL12782420 | 0.72 | AKR1B1 (0.46) | AKR1B1CYP1A2POLBCYP3A4CYP2C19 | |
| SCHEMBL13825600 | 0.71 | AKR1B1 (0.43) | AKR1B1CYP1A2POLBCYP3A4CYP2C19 | |
| SCHEMBL24029215 | 0.71 | AKR1B1 (0.43) | AKR1B1CYP1A2POLBCYP3A4CYP2C19 | |
| SCHEMBL25805362 | 0.71 | AKR1B1 (0.43) | AKR1B1CYP1A2POLBCYP3A4CYP2C19 | |
| SCHEMBL23835847 | 0.71 | AKR1B1 (0.43) | AKR1B1CYP1A2POLBCYP3A4CYP2C19 | |
| SCHEMBL21626819 | 0.70 | BACE1 (0.51) | AKR1B1CYP1A2POLBCYP3A4CYP2C19 | |
| SCHEMBL5975458 | 0.69 | MAPK14 (0.53) | CYP1A2POLBCYP3A4CYP2C19MAPK14 |
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-1955697-B1 | 2-AMINOBENZAMIDE DERIVATIVES AS VANILLOID RECEPTOR 1 (VR1) INHIBITORS USEFUL FOR THE TREATMENT OF PAIN OR BLADDER FUNCTION DISORDER | ASTELLAS PHARMA INC (JP) | 2012-05-02 | — | — | EP | disclosed |