Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 6/20 | 0.65 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.65 |
| ▸ | TAAR1 | Q96RJ0 | 3/20 | 0.60 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.58 |
| ▸ | SLC6A4 | P31645 | 2/20 | 0.58 |
| ▸ | MAPT | P10636 | 1/20 | 0.58 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.58 |
| ▸ | GAA | P10253 | 1/20 | 0.58 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.58 |
| ▸ | CALM1 | P0DP23 | 2/20 | 0.56 |
| ▸ | NPC1 | O15118 | 1/20 | 0.55 |
| ▸ | RAB9A | P51151 | 1/20 | 0.55 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.55 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.55 |
| ▸ | CMA1 | P23946 | 1/20 | 0.55 |
| ▸ | PDE5A | O76074 | 1/20 | 0.54 |
| ▸ | MIF | P14174 | 1/20 | 0.53 |
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 | |
|---|---|---|---|---|
| SCHEMBL29907219 | 1.00 | CYP3A4 (0.65) | CYP3A4CYP2D6TAAR1CYP1A2SLC6A4 | |
| SCHEMBL49914 | 1.00 | CYP3A4 (0.65) | CYP3A4CYP2D6TAAR1CYP1A2SLC6A4 | |
| Methane SCHEMBL28116374 | 0.96 | CYP3A4 (0.61) | CYP3A4CYP2D6TAAR1CYP1A2SLC6A4 | |
| Ethyne SCHEMBL11874174 | 0.96 | CYP3A4 (0.61) | CYP3A4CYP2D6TAAR1CYP1A2SLC6A4 | |
| Ethane SCHEMBL11863120 | 0.96 | CYP3A4 (0.61) | CYP3A4CYP2D6TAAR1CYP1A2SLC6A4 | |
| SCHEMBL27076439 | 0.94 | CYP3A4 (0.59) | CYP3A4CYP2D6TAAR1CYP1A2SLC6A4 | |
| Propane SCHEMBL7421324 | 0.94 | CYP3A4 (0.59) | CYP3A4CYP2D6TAAR1CYP1A2SLC6A4 | |
| Methoxymethane SCHEMBL28541105 | 0.92 | CYP3A4 (0.58) | CYP3A4CYP2D6TAAR1CYP1A2SLC6A4 | |
| Acetic Acid SCHEMBL28116376 | 0.89 | CYP3A4 (0.64) | CYP3A4CYP2D6TAAR1CYP1A2ALDH1A1 | |
| SCHEMBL8993151 | 0.88 | CYP3A4 (0.57) | CYP3A4CYP2D6TAAR1CYP1A2SLC6A4 |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-101507699-B | Chinese herbal medicine cosmetic active composite and preparation method of cosmetic containing the composite | TIANJIN TIENS | 2011-03-02 | — | — | CN | disclosed |
| WO-2010117740-A2 | ENHANCED FORMULATIONS, COMPOSITIONS AND METHODS FOR PEST CONTROL | TYRATECH, INC. (US) | 2010-10-14 | — | — | WO | disclosed |
| WO-2010115065-A2 | METHODS FOR PEST CONTROL EMPLOYING MICROEMULSION-BASED ENHANCED PEST CONTROL FORMULATIONS | TYRATECH, INC. (US) | 2010-10-07 | — | — | WO | disclosed |
| WO-2009117621-A1 | PEST CONTROL COMPOSITIONS AND METHODS | TYRATECH, INC. (US) | 2009-09-24 | — | — | WO | disclosed |
| CN-101507699-A | Chinese herbal medicine cosmetic active composite and preparation method of cosmetic containing the composite | TIANJIN TIANSHI BIODEVELOPMENT (CN) | 2009-08-19 | — | — | CN | disclosed |