Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | BACE1 | P56817 | 6/20 | 1.00 |
| ▸ | KDM4E | B2RXH2 | 6/20 | 1.00 |
| ▸ | HSD17B10 | Q99714 | 5/20 | 1.00 |
| ▸ | SNCA | P37840 | 5/20 | 1.00 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 1.00 |
| ▸ | MAPT | P10636 | 4/20 | 1.00 |
| ▸ | PTGS1 | P23219 | 4/20 | 1.00 |
| ▸ | ALOX15 | P16050 | 4/20 | 1.00 |
| ▸ | GAA | P10253 | 3/20 | 1.00 |
| ▸ | MEN1 | O00255 | 3/20 | 1.00 |
| ▸ | KMT2A | Q03164 | 3/20 | 1.00 |
| ▸ | APEX1 | P27695 | 3/20 | 1.00 |
| ▸ | RECQL | P46063 | 3/20 | 1.00 |
| ▸ | CYP3A4 | P08684 | 3/20 | 1.00 |
| ▸ | PKM | P14618 | 2/20 | 1.00 |
| ▸ | ALPL | P05186 | 2/20 | 1.00 |
| ▸ | POLB | P06746 | 2/20 | 1.00 |
| ▸ | PTGS2 | P35354 | 2/20 | 1.00 |
| ▸ | RAD52 | P43351 | 2/20 | 1.00 |
| ▸ | HPGD | P15428 | 2/20 | 1.00 |
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 | |
|---|---|---|---|---|
| Catechin SCHEMBL10001669 | 1.00 | BACE1 (1.00) | BACE1KDM4EHSD17B10SNCAALDH1A1 | |
| (+)-Epicatechin SCHEMBL862089 | 1.00 | BACE1 (1.00) | BACE1KDM4EHSD17B10SNCAALDH1A1 | |
| Catechin SCHEMBL10033927 | 1.00 | BACE1 (1.00) | BACE1KDM4EHSD17B10SNCAALDH1A1 | |
| (-)-Epicatechin SCHEMBL19412 | 1.00 | BACE1 (1.00) | BACE1KDM4EHSD17B10SNCAALDH1A1 | |
| Cianidanol SCHEMBL12392372 | 1.00 | BACE1 (1.00) | BACE1KDM4EHSD17B10SNCAALDH1A1 | |
| Cianidanol SCHEMBL13610161 | 1.00 | BACE1 (1.00) | BACE1KDM4EHSD17B10SNCAALDH1A1 | |
| Catechin SCHEMBL19411 | 1.00 | BACE1 (1.00) | BACE1KDM4EHSD17B10SNCAALDH1A1 | |
| Cianidanol SCHEMBL19741 | 1.00 | BACE1 (1.00) | BACE1KDM4EHSD17B10SNCAALDH1A1 | |
| Cianidanol SCHEMBL5081456 | 1.00 | BACE1 (1.00) | BACE1KDM4EHSD17B10SNCAALDH1A1 | |
| (-)-Catechin SCHEMBL166733 | 1.00 | BACE1 (1.00) | BACE1KDM4EHSD17B10SNCAALDH1A1 |
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 |