Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA12 | O43570 | 2/20 | 0.54 |
| ▸ | CA9 | Q16790 | 2/20 | 0.54 |
| ▸ | GLS | O94925 | 1/20 | 0.54 |
| ▸ | CASP3 | P42574 | 3/20 | 0.53 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.50 |
| ▸ | CA1 | P00915 | 1/20 | 0.47 |
| ▸ | CA2 | P00918 | 1/20 | 0.47 |
| ▸ | GSK3B | P49841 | 1/20 | 0.47 |
| ▸ | DRD3 | P35462 | 1/20 | 0.47 |
| ▸ | ELANE | P08246 | 1/20 | 0.47 |
| ▸ | MEN1 | O00255 | 1/20 | 0.47 |
| ▸ | PKM | P14618 | 1/20 | 0.47 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.47 |
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 | |
|---|---|---|---|---|
| SCHEMBL31402 | 1.00 | CA12 (0.54) | CA12CA9GLSCASP3ALDH1A1 | |
| SCHEMBL31643071 | 1.00 | CA12 (0.54) | CA12CA9GLSCASP3ALDH1A1 | |
| SCHEMBL2359299 | 0.85 | CASP3 (0.46) | CA12CA9GLSCASP3ALDH1A1 | |
| SCHEMBL2296434 | 0.81 | GLS (0.61) | GLSCASP3ALDH1A1 | |
| SCHEMBL29750183 | 0.81 | GLS (0.61) | GLSCASP3ALDH1A1 | |
| SCHEMBL10795642 | 0.81 | CYP1B1 (0.67) | ALDH1A1MEN1KMT2A | |
| SCHEMBL6699936 | 0.79 | GLS (0.71) | CA12CA9GLSCASP3 | |
| SCHEMBL2604740 | 0.79 | CA12 (0.58) | CA12CA9GLSCASP3ALDH1A1 | |
| SCHEMBL31622484 | 0.78 | MAPT (0.62) | GLSMEN1KMT2A | |
| SCHEMBL5312972 | 0.78 | MAPT (0.62) | GLSMEN1KMT2A |
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 |