Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PDE2A | O00408 | 1/20 | 0.52 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.37 |
| ▸ | TSHR | P16473 | 1/20 | 0.37 |
| ▸ | KIF11 | P52732 | 6/20 | 0.37 |
| ▸ | CES2 | O00748 | 1/20 | 0.35 |
| ▸ | CES1 | P23141 | 1/20 | 0.35 |
| ▸ | ORAI1 | Q96D31 | 1/20 | 0.35 |
| ▸ | ORAI2 | Q96SN7 | 1/20 | 0.35 |
| ▸ | ORAI3 | Q9BRQ5 | 1/20 | 0.35 |
| ▸ | TRPV6 | Q9H1D0 | 1/20 | 0.35 |
| ▸ | MGLL | Q99685 | 1/20 | 0.35 |
| ▸ | TRPV4 | Q9HBA0 | 1/20 | 0.34 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.33 |
| ▸ | SCN5A | Q14524 | 1/20 | 0.33 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.32 |
| ▸ | HTR3E | A5X5Y0 | 1/20 | 0.32 |
| ▸ | HTR3B | O95264 | 1/20 | 0.32 |
| ▸ | PLAU | P00749 | 1/20 | 0.32 |
| ▸ | HTR3A | P46098 | 1/20 | 0.32 |
| ▸ | HTR3D | Q70Z44 | 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 | |
|---|---|---|---|---|
| SCHEMBL8422899 | 0.89 | PDE2A (0.62) | PDE2AALDH1A1TSHRKIF11CES2 | |
| SCHEMBL2900759 | 0.83 | PDE2A (0.42) | PDE2A | |
| SCHEMBL415546 | 0.83 | ALDH1A1 (0.50) | ALDH1A1TSHRKIF11CES2CES1 | |
| Fluoride SCHEMBL29094699 | 0.81 | ALDH1A1 (0.48) | ALDH1A1TSHRKIF11CES2CES1 | |
| SCHEMBL1765830 | 0.77 | KIF11 (0.61) | ALDH1A1TSHRKIF11 | |
| SCHEMBL7672068 | 0.71 | LTA4H (0.45) | ALDH1A1TSHRKIF11SCN5A | |
| Alcohol SCHEMBL2201593 | 0.71 | KIF11 (0.41) | PDE2AALDH1A1TSHRKIF11CES2 | |
| SCHEMBL1970199 | 0.69 | PDE2A (0.52) | PDE2ASCN5A | |
| SCHEMBL63468 | 0.69 | ALDH1A1 (0.67) | ALDH1A1TSHRKIF11CES2CES1 | |
| SCHEMBL10938060 | 0.69 | IDO1 (0.41) | PDE2ATRPV4 |
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-0784614-A1 | THE PREPARATION OF FLUORINATED ORGANIC COMPOUNDS | British Nuclear Fuels PLC (GB) | 1997-07-23 | — | — | EP | disclosed |
| WO-1997005106-A1 | THE PREPARATION OF FLUORINATED ORGANIC COMPOUNDS | BRITISH NUCLEAR FUELS PLC (GB) | 1997-02-13 | — | — | WO | disclosed |