Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | LMNA | P02545 | 3/20 | 0.43 |
| ▸ | CCR5 | P51681 | 1/20 | 0.41 |
| ▸ | TAAR1 | Q96RJ0 | 4/20 | 0.37 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.37 |
| ▸ | MIF | P14174 | 1/20 | 0.36 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.36 |
| ▸ | TRPA1 | O75762 | 3/20 | 0.35 |
| ▸ | HKDC1 | Q2TB90 | 1/20 | 0.35 |
| ▸ | HTR2A | P28223 | 1/20 | 0.34 |
| ▸ | HRH1 | P35367 | 1/20 | 0.34 |
| ▸ | AOC3 | Q16853 | 1/20 | 0.34 |
| ▸ | NOS3 | P29474 | 1/20 | 0.34 |
| ▸ | NOS2 | P35228 | 1/20 | 0.34 |
| ▸ | CTSD | P07339 | 1/20 | 0.34 |
| ▸ | CTSE | P14091 | 1/20 | 0.34 |
| ▸ | BACE1 | P56817 | 1/20 | 0.34 |
| ▸ | POLB | P06746 | 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 | |
|---|---|---|---|---|
| SCHEMBL5207585 | 0.84 | AOC3 (0.40) | LMNACCR5TRPA1HTR2AHRH1 | |
| SCHEMBL5202807 | 0.81 | POLB (0.40) | LMNAHTR2AHRH1AOC3POLB | |
| SCHEMBL1111815 | 0.81 | LMNA (0.45) | LMNACCR5TAAR1CYP2D6MIF | |
| SCHEMBL7384257 | 0.80 | LMNA (0.41) | LMNACCR5TAAR1CYP2D6MIF | |
| SCHEMBL8121030 | 0.80 | NR1I2 (0.39) | HTR2APOLB | |
| SCHEMBL169508 | 0.79 | LMNA (0.56) | LMNACCR5TAAR1CYP2D6MIF | |
| SCHEMBL4901936 | 0.79 | CYP2C19 (0.48) | LMNACCR5TAAR1CYP2D6MIF | |
| SCHEMBL4864892 | 0.79 | CCR5 (0.45) | LMNACCR5TAAR1CYP2D6MIF | |
| SCHEMBL464510 | 0.79 | CCR5 (0.45) | LMNACCR5TAAR1CYP2D6MIF | |
| SCHEMBL2133730 | 0.79 | CYP2C19 (0.48) | LMNACCR5TAAR1CYP2D6MIF |
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 8 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0980867-B1 | KETONE DERIVATIVES AND MEDICINAL USE THEREOF | TORAY INDUSTRIES (JP) | 2007-08-08 | — | — | EP | disclosed |
| CN-1114602-C | Ketone derivatives and medicinal use thereof | TORAY INDUSTRIES (JP) | 2003-07-16 | — | — | CN | disclosed |
| US-6100292-A | Ketone derivatives and their medical applications | TORAY INDUSTRIES, INC. (JP) | 2000-08-08 | — | — | US | disclosed |
| EP-0980867-A1 | KETONE DERIVATIVES AND MEDICINAL USE THEREOF | TORAY INDUSTRIES, INC. (JP) | 2000-02-23 | — | — | EP | disclosed |
| CN-1242771-A | Ketone derivatives and medicinal use thereof | TORAY INDUSTRIES (JP) | 2000-01-26 | — | — | CN | disclosed |
| CN-1039321-C | New beta-amino-alpha-hydroxycarboxylic acids and their use | SANKYO CO (JP) | 1998-07-29 | — | — | CN | disclosed |
| CN-1064683-A | New beta-amino-alpha-hydroxycarboxylic acids and uses thereof | SANKYO CO (JP) | 1992-09-23 | — | — | CN | disclosed |
| EP-0498680-A1 | New beta-amino-alpha-hydroxycarboxylic acids and their use | Sankyo Company Limited (JP) | 1992-08-12 | — | — | EP | disclosed |