Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | THRB | P10828 | 5/20 | 0.36 |
| ▸ | TP53 | P04637 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.35 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.35 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.35 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.35 |
| ▸ | MAPT | P10636 | 4/20 | 0.35 |
| ▸ | REN | P00797 | 2/20 | 0.34 |
| ▸ | MAOA | P21397 | 1/20 | 0.34 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.32 |
| ▸ | TSHR | P16473 | 2/20 | 0.32 |
| ▸ | LMNA | P02545 | 3/20 | 0.32 |
| ▸ | CACNA1G | O43497 | 1/20 | 0.32 |
| ▸ | CACNA1H | O95180 | 1/20 | 0.32 |
| ▸ | CACNA1I | Q9P0X4 | 1/20 | 0.32 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.32 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.32 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.32 |
| ▸ | HDAC7 | Q8WUI4 | 1/20 | 0.32 |
| ▸ | HDAC2 | Q92769 | 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 | |
|---|---|---|---|---|
| SCHEMBL4145756 | 0.88 | REN (0.38) | THRBTP53ALDH1A1CYP3A4CYP2D6 | |
| SCHEMBL1038928 | 0.84 | REN (0.35) | CYP3A4CYP2C19MAPTRENTDP1 | |
| SCHEMBL1038321 | 0.84 | REN (0.34) | THRBTP53MAPTRENTSHR | |
| SCHEMBL1038354 | 0.83 | REN (0.36) | THRBALDH1A1CYP3A4CYP2D6CYP2C19 | |
| SCHEMBL1040326 | 0.83 | REN (0.34) | THRBTP53MAPTRENTSHR | |
| SCHEMBL1040351 | 0.82 | REN (0.35) | THRBALDH1A1CYP3A4CYP2D6CYP2C19 | |
| SCHEMBL1040811 | 0.81 | MAPT (0.33) | THRBTP53ALDH1A1CYP3A4CYP2D6 | |
| SCHEMBL1039803 | 0.81 | REN (0.34) | THRBALDH1A1CYP3A4CYP2D6CYP2C19 | |
| SCHEMBL3945449 | 0.81 | REN (0.34) | THRBALDH1A1CYP3A4CYP2D6CYP2C19 | |
| SCHEMBL1038318 | 0.81 | REN (0.37) | RENMAOA |
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-2049514-B1 | NITRATE ESTERS OF PIPERIDINES | NOVARTIS AG (CH) | 2011-01-26 | — | — | EP | disclosed |