Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 4/20 | 0.48 |
| ▸ | SLC22A6 | Q4U2R8 | 1/20 | 0.46 |
| ▸ | LMNA | P02545 | 3/20 | 0.40 |
| ▸ | NFKB1 | P19838 | 2/20 | 0.39 |
| ▸ | PMP22 | Q01453 | 1/20 | 0.39 |
| ▸ | EGLN1 | Q9GZT9 | 2/20 | 0.36 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.36 |
| ▸ | SLC13A3 | Q8WWT9 | 1/20 | 0.36 |
| ▸ | OR51E2 | Q9H255 | 1/20 | 0.36 |
| ▸ | CAMK2A | Q9UQM7 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.34 |
| ▸ | GABRR3 | A8MPY1 | 1/20 | 0.34 |
| ▸ | GABRP | O00591 | 1/20 | 0.34 |
| ▸ | GABRD | O14764 | 1/20 | 0.34 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.34 |
| ▸ | GABBR2 | O75899 | 1/20 | 0.34 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.34 |
| ▸ | THRB | P10828 | 1/20 | 0.34 |
| ▸ | GABRA1 | P14867 | 1/20 | 0.34 |
| ▸ | GABRB1 | P18505 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL1602470 | 0.87 | SLC22A6 (0.61) | TSHRSLC22A6LMNANFKB1PMP22 | |
| SCHEMBL6752506 | 0.85 | EGLN1 (0.54) | TSHRSLC22A6LMNANFKB1PMP22 | |
| SCHEMBL14357996 | 0.85 | TSHR (0.52) | TSHRSLC22A6LMNANFKB1PMP22 | |
| SCHEMBL11203528 | 0.84 | TSHR (0.58) | TSHRSLC22A6LMNANFKB1PMP22 | |
| SCHEMBL28058052 | 0.84 | TSHR (0.58) | TSHRSLC22A6LMNANFKB1PMP22 | |
| SCHEMBL19925 | 0.84 | SLC22A6 (0.65) | TSHRSLC22A6LMNANFKB1PMP22 | |
| SCHEMBL1289888 | 0.84 | SLC22A6 (0.65) | TSHRSLC22A6LMNANFKB1PMP22 | |
| Adipic Acid SCHEMBL27504325 | 0.82 | TSHR (0.56) | TSHRSLC22A6LMNANFKB1PMP22 | |
| Ammonia Solution, Strong SCHEMBL28947727 | 0.82 | TSHR (0.56) | TSHRSLC22A6LMNANFKB1PMP22 | |
| SCHEMBL2480634 | 0.82 | TSHR (0.56) | TSHRSLC22A6LMNANFKB1PMP22 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-105815313-B | Vegetable heavy metal blocking agent and use method thereof | 华南农业大学 | 2018-07-20 | — | — | CN | claimed |
| WO-2011050211-A2 | METHODS AND COMPOSITIONS FOR CELL-PROLIFERATION-RELATED DISORDERS | AGIOS PHARMACEUTICALS, INC. (US) | 2011-04-28 | — | — | WO | disclosed |
| EP-1778616-A1 | ALPHA-KETOGLUTARATES AND THEIR USE AS THERAPEUTIC AGENTS | Cancer Research Technology Limited (GB) | 2007-05-02 | — | — | EP | disclosed |
| WO-2006016143-A1 | ALPHA-KETOGLUTARATES AND THEIR USE AS THERAPEUTIC AGENTS | CANCER RESEARCH TECHNOLOGY LIMITED (GB) | 2006-02-16 | — | — | WO | disclosed |