Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NTRK1 | P04629 | 1/20 | 0.39 |
| ▸ | NTRK2 | Q16620 | 1/20 | 0.39 |
| ▸ | PPARA | Q07869 | 4/20 | 0.39 |
| ▸ | PPARG | P37231 | 1/20 | 0.39 |
| ▸ | MTTP | P55157 | 7/20 | 0.36 |
| ▸ | PLK1 | P53350 | 1/20 | 0.35 |
| ▸ | PPARD | Q03181 | 2/20 | 0.33 |
| ▸ | TP53 | P04637 | 1/20 | 0.32 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.32 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.32 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.32 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.32 |
| ▸ | FFAR1 | O14842 | 1/20 | 0.32 |
| ▸ | FFAR2 | O15552 | 1/20 | 0.32 |
| ▸ | FFAR4 | Q5NUL3 | 1/20 | 0.32 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.32 |
| ▸ | MEN1 | O00255 | 1/20 | 0.32 |
| ▸ | KMT2A | Q03164 | 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 | |
|---|---|---|---|---|
| SCHEMBL5316647 | 0.97 | NTRK1 (0.41) | NTRK1NTRK2PPARAPPARGMTTP | |
| SCHEMBL400194 | 0.95 | NTRK1 (0.39) | NTRK1NTRK2PPARAPPARGMTTP | |
| SCHEMBL5316686 | 0.95 | NTRK1 (0.42) | NTRK1NTRK2PPARAPPARGMTTP | |
| SCHEMBL5318414 | 0.93 | NTRK1 (0.38) | NTRK1NTRK2PPARAPPARGMTTP | |
| SCHEMBL403797 | 0.93 | NTRK1 (0.40) | NTRK1NTRK2PPARAPPARGMTTP | |
| SCHEMBL401879 | 0.92 | NTRK1 (0.37) | NTRK1NTRK2PPARAPPARGMTTP | |
| SCHEMBL5318139 | 0.92 | NTRK1 (0.40) | NTRK1NTRK2PPARAPPARGMTTP | |
| SCHEMBL400298 | 0.92 | NTRK1 (0.41) | NTRK1NTRK2PPARAPPARGMTTP | |
| SCHEMBL403346 | 0.90 | NTRK1 (0.42) | NTRK1NTRK2PPARAPPARGMTTP | |
| SCHEMBL401877 | 0.90 | NTRK1 (0.39) | NTRK1NTRK2PPARAPPARGMTTP |
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-1803452-A1 | ESTER DERIVATIVE AND PHARMACEUTICAL USE THEREOF | Japan Tobacco, Inc. (JP) | 2007-07-04 | — | — | EP | claimed |