Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 2/20 | 0.50 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.50 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.44 |
| ▸ | CASR | P41180 | 2/20 | 0.44 |
| ▸ | HTR2A | P28223 | 1/20 | 0.43 |
| ▸ | HTR2C | P28335 | 1/20 | 0.43 |
| ▸ | HTR2B | P41595 | 1/20 | 0.43 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.41 |
| ▸ | MC4R | P32245 | 1/20 | 0.41 |
| ▸ | MC5R | P33032 | 1/20 | 0.41 |
| ▸ | SLC13A5 | Q86YT5 | 1/20 | 0.41 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.40 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.40 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.40 |
| ▸ | BCHE | P06276 | 2/20 | 0.40 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL19818106 | 0.86 | CYP1A2 (0.50) | CYP1A2CYP2A6CASRALOX5 | |
| SCHEMBL19818101 | 0.85 | CYP1A2 (0.48) | CYP1A2KMT2ACASRALOX5ALDH1A1 | |
| SCHEMBL19818079 | 0.83 | CYP1A2 (0.47) | CYP1A2CYP2A6CASRALOX5 | |
| SCHEMBL19818103 | 0.83 | CYP1A2 (0.46) | CYP1A2KMT2ACASRALOX5CYP3A4 | |
| SCHEMBL17023194 | 0.81 | SLC13A5 (0.53) | CYP1A2CYP2A6KMT2AHTR2AHTR2C | |
| SCHEMBL19818102 | 0.79 | KIF11 (0.43) | CYP1A2CASRALOX5 | |
| SCHEMBL126749 | 0.75 | CYP2C9 (0.58) | CYP1A2CYP3A4 | |
| SCHEMBL19341333 | 0.75 | CYP2A6 (0.59) | CYP1A2CYP2A6KMT2ACASRHTR2A | |
| SCHEMBL28846350 | 0.75 | CYP1A2 (0.54) | CYP1A2CYP2A6KMT2AHTR2AHTR2C | |
| SCHEMBL28508798 | 0.74 | SLC13A5 (0.57) | CYP1A2CYP2A6HTR2ASIGMAR1SLC13A5 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2013091660-A1 | A METHOD FOR OBTAINING CRYSTALLINE LACTO-N-TETRAOSE AND LACTO-N-NEOTETRAOSE PRECURSORS AND MIXTURES THEREOF | GLYCOM A/S (DK) | 2013-06-27 | — | — | WO | disclosed |