Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.73 |
| ▸ | GAA | P10253 | 2/20 | 0.60 |
| ▸ | MGAM | O43451 | 1/20 | 0.60 |
| ▸ | SI | P14410 | 1/20 | 0.60 |
| ▸ | MGAM2 | Q2M2H8 | 1/20 | 0.60 |
| ▸ | NR1I2 | O75469 | 1/20 | 0.55 |
| ▸ | PGR | P06401 | 1/20 | 0.55 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.55 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.55 |
| ▸ | PDE4D | Q08499 | 1/20 | 0.55 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.55 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.55 |
| ▸ | RAB9A | P51151 | 1/20 | 0.53 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.53 |
| ▸ | TSHR | P16473 | 2/20 | 0.52 |
| ▸ | DGKA | P23743 | 1/20 | 0.52 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.52 |
| ▸ | POLB | P06746 | 1/20 | 0.52 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.52 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.52 |
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 | |
|---|---|---|---|---|
| SCHEMBL50734 | 1.00 | CYP1A2 (0.73) | CYP1A2GAAMGAMSIMGAM2 | |
| SCHEMBL31150447 | 0.97 | CYP1A2 (0.70) | CYP1A2GAAMGAMSIMGAM2 | |
| Succinic Acid Diethyl Ester SCHEMBL21518140 | 0.97 | CYP1A2 (0.70) | CYP1A2GAAMGAMSIMGAM2 | |
| SCHEMBL50610 | 0.94 | CYP1A2 (0.73) | CYP1A2GAAMGAMSIMGAM2 | |
| SCHEMBL8570508 | 0.94 | CYP1A2 (0.73) | CYP1A2GAAMGAMSIMGAM2 | |
| Acetic Acid SCHEMBL28197316 | 0.92 | CYP1A2 (0.64) | CYP1A2GAAMGAMSIMGAM2 | |
| SCHEMBL6413180 | 0.92 | CYP1A2 (0.64) | CYP1A2GAAMGAMSIMGAM2 | |
| SCHEMBL1483107 | 0.92 | CYP1A2 (0.70) | CYP1A2GAAMGAMSIMGAM2 | |
| SCHEMBL495925 | 0.92 | CYP1A2 (0.70) | CYP1A2GAAMGAMSIMGAM2 | |
| SCHEMBL6055406 | 0.92 | CYP1A2 (0.70) | CYP1A2GAAMGAMSIMGAM2 |
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-20110282587-A1 | COMPUTER READABLE STORAGE MEDIUMS, METHODS AND SYSTEMS FOR NORMALIZING CHEMICAL PROFILES IN BIOLOGICAL OR MEDICAL SAMPLES DETECTED BY MASS SPECTROMETRY | EMORY UNIVERSITY (US) | 2011-11-17 | — | — | US | disclosed |