Predicted protein targets (top 3)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.38 |
| ▸ | TSHR | P16473 | 1/20 | 0.38 |
| ▸ | AKT1 | P31749 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL111311 | 1.00 | ALDH1A1 (0.38) | ALDH1A1TSHRAKT1 | |
| SCHEMBL1332417 | 1.00 | ALDH1A1 (0.38) | ALDH1A1TSHRAKT1 | |
| SCHEMBL1331251 | 1.00 | ALDH1A1 (0.38) | ALDH1A1TSHRAKT1 | |
| SCHEMBL8903339 | 0.95 | ALDH1A1 (0.35) | ALDH1A1TSHR | |
| SCHEMBL5677310 | 0.93 | TSHR (0.33) | ALDH1A1TSHRAKT1 | |
| SCHEMBL6912141 | 0.78 | ALDH1A1 (0.32) | ALDH1A1 | |
| SCHEMBL1760265 | 0.78 | ALDH1A1 (0.41) | ALDH1A1TSHRAKT1 | |
| SCHEMBL6912142 | 0.78 | ALDH1A1 (0.32) | ALDH1A1 | |
| SCHEMBL5835270 | 0.75 | LMNA (0.38) | ALDH1A1 | |
| SCHEMBL4900230 | 0.75 | ACHE (0.38) | ALDH1A1 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-9673030-B2 | Computer readable storage mediums, methods and systems for normalizing chemical profiles in biological or medical samples detected by mass spectrometry | EMORY UNIVERSITY (US) | 2017-06-06 | — | — | US | disclosed |
| 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 |