Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | EGLN1 | Q9GZT9 | 6/20 | 0.41 |
| ▸ | LMNA | P02545 | 3/20 | 0.41 |
| ▸ | ALKBH5 | Q6P6C2 | 1/20 | 0.41 |
| ▸ | SUCNR1 | Q9BXA5 | 1/20 | 0.41 |
| ▸ | SLC15A2 | Q16348 | 1/20 | 0.39 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.39 |
| ▸ | SLC13A3 | Q8WWT9 | 1/20 | 0.39 |
| ▸ | OR51E2 | Q9H255 | 1/20 | 0.39 |
| ▸ | TSHR | P16473 | 1/20 | 0.37 |
| ▸ | PHF8 | Q9UPP1 | 7/20 | 0.35 |
| ▸ | KDM2A | Q9Y2K7 | 7/20 | 0.35 |
| ▸ | KDM5C | P41229 | 4/20 | 0.35 |
| ▸ | KDM6B | O15054 | 3/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.35 |
| ▸ | FFAR3 | O14843 | 1/20 | 0.35 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.35 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.35 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.35 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL15422290 | 1.00 | EGLN1 (0.41) | EGLN1LMNAALKBH5SUCNR1SLC15A2 | |
| SCHEMBL3772226 | 0.80 | CTBP2 (0.30) | — | |
| SCHEMBL3772222 | 0.80 | CTBP2 (0.30) | — | |
| SCHEMBL11120068 | 0.78 | CES1 (0.41) | OR51E2TSHRALDH1A1SLC22A6AKR1B1 | |
| SCHEMBL8661149 | 0.77 | AKR1B1 (0.46) | OR51E2TSHRALDH1A1SLC22A6AKR1B1 | |
| SCHEMBL27600470 | 0.77 | TSHR (0.33) | TSHR | |
| SCHEMBL8520258 | 0.76 | — | — | |
| SCHEMBL15260388 | 0.74 | LMNA (0.46) | EGLN1LMNAALKBH5SUCNR1SLC15A2 | |
| SCHEMBL15274237 | 0.74 | LMNA (0.46) | EGLN1LMNAALKBH5SUCNR1SLC15A2 | |
| SCHEMBL8408404 | 0.74 | — | — |
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-20140024132-A1 | METHODS AND SYSTEMS USING INTEGRATED METABOLOMICS AND PHARMACOKINETICS FOR MULTI-COMPONENT DRUG EVALUATION | THE UNIVERSITY OF NORTH CAROLINA AT GREENSBORO | 2014-01-23 | — | — | US | disclosed |