Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.46 |
| ▸ | ADH1A | P07327 | 4/20 | 0.42 |
| ▸ | ADH1C | P00326 | 3/20 | 0.40 |
| ▸ | SPHK1 | Q9NYA1 | 1/20 | 0.40 |
| ▸ | FAAH | O00519 | 1/20 | 0.35 |
| ▸ | PHGDH | O43175 | 1/20 | 0.35 |
| ▸ | MGLL | Q99685 | 1/20 | 0.35 |
| ▸ | HRH4 | Q9H3N8 | 1/20 | 0.35 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.35 |
| ▸ | LMNA | P02545 | 1/20 | 0.35 |
| ▸ | TSHR | P16473 | 1/20 | 0.35 |
| ▸ | SIGMAR1 | Q99720 | 2/20 | 0.34 |
| ▸ | NAAA | Q02083 | 2/20 | 0.33 |
| ▸ | THRA | P10827 | 1/20 | 0.33 |
| ▸ | THRB | P10828 | 1/20 | 0.33 |
| ▸ | EPHX1 | P07099 | 1/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 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 | |
|---|---|---|---|---|
| Pentane SCHEMBL2360777 | 1.00 | CYP1A2 (0.46) | CYP1A2ADH1AADH1CSPHK1FAAH | |
| Butane SCHEMBL3189701 | 0.90 | ADH1A (0.45) | CYP1A2ADH1AADH1CSPHK1FAAH | |
| Butane SCHEMBL3375927 | 0.90 | ADH1A (0.45) | CYP1A2ADH1AADH1CSPHK1FAAH | |
| SCHEMBL4359023 | 0.87 | ADH1A (0.41) | CYP1A2ADH1AADH1CSPHK1SIGMAR1 | |
| SCHEMBL1679002 | 0.84 | ADH1A (0.50) | ADH1AADH1CFAAHPHGDHMGLL | |
| SCHEMBL13356252 | 0.84 | ADH1A (0.50) | ADH1AADH1CFAAHPHGDHMGLL | |
| SCHEMBL28469806 | 0.84 | ADH1A (0.50) | ADH1AADH1CFAAHPHGDHMGLL | |
| SCHEMBL283931 | 0.84 | ADH1A (0.50) | ADH1AADH1CFAAHPHGDHMGLL | |
| SCHEMBL20733112 | 0.84 | ADH1A (0.50) | ADH1AADH1CFAAHPHGDHMGLL | |
| SCHEMBL1674941 | 0.84 | ADH1A (0.50) | ADH1AADH1CFAAHPHGDHMGLL |
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-7682599-B2 | Method for preparing NES-type zeolites using novel structure directing agents | CHEVRON U.S.A. INC. (US) | 2010-03-23 | — | — | US | disclosed |