Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTR2A | P28223 | 1/20 | 0.44 |
| ▸ | KCNH2 | Q12809 | 3/20 | 0.43 |
| ▸ | ASAH1 | Q13510 | 2/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.42 |
| ▸ | ACER2 | Q5QJU3 | 1/20 | 0.42 |
| ▸ | NAAA | Q02083 | 3/20 | 0.41 |
| ▸ | EPHX1 | P07099 | 1/20 | 0.40 |
| ▸ | CES2 | O00748 | 1/20 | 0.40 |
| ▸ | CES1 | P23141 | 1/20 | 0.40 |
| ▸ | CYP19A1 | P11511 | 3/20 | 0.39 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.38 |
| ▸ | POLB | P06746 | 1/20 | 0.38 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| Isopropylbenzene SCHEMBL2596977 | 0.90 | HTR2A (0.50) | HTR2AKCNH2ASAH1ALDH1A1ACER2 | |
| Isopropylbenzene SCHEMBL18343980 | 0.90 | HTR2A (0.50) | HTR2AKCNH2ASAH1ALDH1A1ACER2 | |
| Hexadecane SCHEMBL28192744 | 0.90 | HTR2A (0.50) | HTR2AKCNH2ASAH1ALDH1A1ACER2 | |
| Isopropylbenzene SCHEMBL8837125 | 0.88 | HTR2A (0.47) | HTR2AKCNH2ASAH1ALDH1A1ACER2 | |
| SCHEMBL27991050 | 0.85 | HTR2A (0.45) | HTR2AKCNH2ASAH1ALDH1A1ACER2 | |
| Dodecanol SCHEMBL27992743 | 0.81 | LMNA (0.50) | HTR2AASAH1ALDH1A1ACER2NAAA | |
| Isopropylbenzene SCHEMBL28826494 | 0.81 | HTR2A (0.44) | HTR2AKCNH2ASAH1ALDH1A1ACER2 | |
| Dodecylamine SCHEMBL1859156 | 0.81 | HTR2A (0.51) | HTR2AALDH1A1EPHX1TAAR1 | |
| Chlorobenzene SCHEMBL27613825 | 0.80 | TSHR (0.46) | KCNH2ALDH1A1NAAAEPHX1CES2 | |
| Isopropylbenzene SCHEMBL8668126 | 0.79 | SIGMAR1 (0.58) | ASAH1ALDH1A1ACER2NAAAEPHX1 |
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 |
|---|---|---|---|---|---|---|---|
| CN-1051552-A | ACAT INHIBITORS | WARNER LAMBERT CO (US) | 1991-05-22 | — | — | CN | disclosed |