Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | EPHX1 | P07099 | 4/20 | 0.58 |
| ▸ | SIGMAR1 | Q99720 | 2/20 | 0.53 |
| ▸ | NAAA | Q02083 | 4/20 | 0.50 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.50 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.47 |
| ▸ | HTT | P42858 | 1/20 | 0.47 |
| ▸ | ESR1 | P03372 | 2/20 | 0.46 |
| ▸ | ADRA2A | P08913 | 2/20 | 0.46 |
| ▸ | ADORA3 | P0DMS8 | 2/20 | 0.46 |
| ▸ | TACR2 | P21452 | 2/20 | 0.46 |
| ▸ | SLC6A2 | P23975 | 2/20 | 0.46 |
| ▸ | SLC6A4 | P31645 | 2/20 | 0.46 |
| ▸ | SLC6A3 | Q01959 | 2/20 | 0.46 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.46 |
| ▸ | LMNA | P02545 | 1/20 | 0.46 |
| ▸ | SHBG | P04278 | 1/20 | 0.46 |
| ▸ | TP53 | P04637 | 1/20 | 0.46 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.46 |
| ▸ | HSPD1 | P10809 | 1/20 | 0.46 |
| ▸ | ADRB3 | P13945 | 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 | |
|---|---|---|---|---|
| Octane SCHEMBL9194897 | 1.00 | EPHX1 (0.58) | EPHX1SIGMAR1NAAAL3MBTL1ALDH1A1 | |
| Phenol SCHEMBL4630055 | 0.98 | EPHX1 (0.54) | EPHX1SIGMAR1NAAAL3MBTL1ALDH1A1 | |
| Phenol SCHEMBL27585794 | 0.92 | L3MBTL1 (0.48) | EPHX1SIGMAR1NAAAL3MBTL1HTT | |
| Hexadecane SCHEMBL28418477 | 0.85 | CA12 (0.58) | ALDH1A1ESR1ADRA2AADORA3TACR2 | |
| Nonane SCHEMBL10782923 | 0.85 | CA12 (0.58) | ALDH1A1ESR1ADRA2AADORA3TACR2 | |
| Phenol SCHEMBL28421398 | 0.85 | CA12 (0.58) | ALDH1A1ESR1ADRA2AADORA3TACR2 | |
| Octane SCHEMBL8547977 | 0.85 | CA12 (0.58) | ALDH1A1ESR1ADRA2AADORA3TACR2 | |
| Dodecane SCHEMBL27275354 | 0.85 | CA12 (0.58) | ALDH1A1ESR1ADRA2AADORA3TACR2 | |
| Undecane SCHEMBL27745324 | 0.85 | CA12 (0.58) | ALDH1A1ESR1ADRA2AADORA3TACR2 | |
| Heptane SCHEMBL27813987 | 0.85 | CA12 (0.58) | ALDH1A1ESR1ADRA2AADORA3TACR2 |
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 |
|---|---|---|---|---|---|---|---|
| US-7578971-B2 | methyltricaprylylammonium phenoxide as phase transfer agent, pH sensitive color indicator is thymol blue, and ethoxylated alcohol is octylphenol ethoxylate; polyethersulfone as a solid support; excellent resistance to humidity; located in an esophageal breathing system | MERCURY ENTERPRISES, INC. (US) | 2009-08-25 | — | — | US | claimed |