Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CES2 | O00748 | 3/20 | 0.51 |
| ▸ | CES1 | P23141 | 3/20 | 0.51 |
| ▸ | MMP2 | P08253 | 1/20 | 0.51 |
| ▸ | MMP9 | P14780 | 1/20 | 0.51 |
| ▸ | MMP12 | P39900 | 1/20 | 0.51 |
| ▸ | PRSS1 | P07477 | 2/20 | 0.50 |
| ▸ | CTSG | P08311 | 2/20 | 0.50 |
| ▸ | CTRB1 | P17538 | 2/20 | 0.50 |
| ▸ | CMA1 | P23946 | 2/20 | 0.50 |
| ▸ | NAAA | Q02083 | 1/20 | 0.50 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.49 |
| ▸ | PGR | P06401 | 1/20 | 0.49 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.49 |
| ▸ | ADRA2B | P18089 | 1/20 | 0.49 |
| ▸ | HTR2A | P28223 | 1/20 | 0.49 |
| ▸ | HRH1 | P35367 | 1/20 | 0.49 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.49 |
| ▸ | ACE2 | Q9BYF1 | 1/20 | 0.47 |
| ▸ | CA1 | P00915 | 2/20 | 0.47 |
| ▸ | ASAH1 | Q13510 | 1/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL1195165 | 1.00 | CES2 (0.51) | CES2CES1MMP2MMP9MMP12 | |
| SCHEMBL15659882 | 1.00 | CES2 (0.51) | CES2CES1MMP2MMP9MMP12 | |
| SCHEMBL8901194 | 1.00 | CES2 (0.51) | CES2CES1MMP2MMP9MMP12 | |
| SCHEMBL6686403 | 1.00 | CES2 (0.51) | CES2CES1MMP2MMP9MMP12 | |
| SCHEMBL6684015 | 1.00 | CES2 (0.51) | CES2CES1MMP2MMP9MMP12 | |
| SCHEMBL6424289 | 0.98 | CES2 (0.50) | CES2CES1MMP2MMP9MMP12 | |
| SCHEMBL4994418 | 0.93 | PGR (0.51) | CES2CES1MMP2MMP9MMP12 | |
| SCHEMBL8733899 | 0.93 | PGR (0.51) | CES2CES1MMP2MMP9MMP12 | |
| SCHEMBL8914361 | 0.91 | NAAA (0.54) | CES2CES1MMP2MMP9MMP12 | |
| SCHEMBL11170402 | 0.91 | PGR (0.52) | CES2CES1ALDH1A1PGRADRA2A |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0985649-B1 | Method for producing an aromatic compound having an alkyl group with at least three carbon atoms | TORAY INDUSTRIES (JP) | 2004-11-24 | — | — | EP | disclosed |
| US-6462248-B1 | THROUGH CONVERSION, ISOMERIZATION AND/OR ADSORPTIVE SEPARATION OF AROMATIC COMPOUNDS | TORAY INDUSTRIES, INC. (JP) | 2002-10-08 | — | — | US | disclosed |
| EP-0985649-A2 | Method for producing an aromatic compound having an alkyl group with at least three carbon atoms | TORAY INDUSTRIES, INC. (JP) | 2000-03-15 | — | — | EP | disclosed |