Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | THRB | P10828 | 5/20 | 0.43 |
| ▸ | THRA | P10827 | 2/20 | 0.40 |
| ▸ | F13A1 | P00488 | 1/20 | 0.37 |
| ▸ | TGM2 | P21980 | 1/20 | 0.37 |
| ▸ | TGM1 | P22735 | 1/20 | 0.37 |
| ▸ | MAOB | P27338 | 2/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.36 |
| ▸ | MAPT | P10636 | 2/20 | 0.36 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.36 |
| ▸ | TSHR | P16473 | 6/20 | 0.36 |
| ▸ | LMNA | P02545 | 2/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.35 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.35 |
| ▸ | HPGD | P15428 | 1/20 | 0.35 |
| ▸ | HCAR2 | Q8TDS4 | 1/20 | 0.35 |
| ▸ | TP53 | P04637 | 2/20 | 0.34 |
| ▸ | HIF1A | Q16665 | 2/20 | 0.34 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.34 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.34 |
| ▸ | NPC1 | O15118 | 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 | |
|---|---|---|---|---|
| SCHEMBL1591973 | 0.89 | MAOB (0.46) | THRBTHRAF13A1TGM2TGM1 | |
| SCHEMBL29577996 | 0.83 | THRB (0.53) | THRBTHRAALDH1A1TSHRLMNA | |
| SCHEMBL10451653 | 0.83 | THRB (0.53) | THRBTHRAALDH1A1TSHRLMNA | |
| SCHEMBL1371361 | 0.80 | THRB (0.47) | THRBTHRAALDH1A1MAPTL3MBTL1 | |
| SCHEMBL4596466 | 0.79 | ESR1 (0.43) | THRBTHRAF13A1TGM2TGM1 | |
| SCHEMBL28270007 | 0.77 | THRB (0.39) | THRBTHRAF13A1TGM2TGM1 | |
| SCHEMBL960201 | 0.77 | IDO1 (0.48) | THRBTHRAALDH1A1TSHRHCAR2 | |
| SCHEMBL9555275 | 0.77 | THRB (0.47) | THRBTHRAALDH1A1TSHRLMNA | |
| SCHEMBL7181027 | 0.77 | THRB (0.47) | THRBTHRAALDH1A1TSHRLMNA | |
| SCHEMBL25491940 | 0.76 | THRB (0.44) | THRBTHRAALDH1A1TSHRLMNA |
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 |
|---|---|---|---|---|---|---|---|
| EP-2081879-A2 | SYNTHESIS OF ISOTOPICALLY LABELED ALPHA-KETO ACIDS AND ESTERS | Cambridge Isotope Laboratories, Inc. (US) | 2009-07-29 | — | — | EP | claimed |
| WO-2008011033-A2 | SYNTHESIS OF ISOTOPICALLY LABELED ALPHA-KETO ACIDS AND ESTERS | SPECTRA GASES, INC. (US) | 2008-01-24 | — | — | WO | claimed |
| EP-2081879-A2 | SYNTHESIS OF ISOTOPICALLY LABELED ALPHA-KETO ACIDS AND ESTERS | Cambridge Isotope Laboratories, Inc. (US) | 2009-07-29 | — | — | EP | disclosed |
| WO-2008011033-A2 | SYNTHESIS OF ISOTOPICALLY LABELED ALPHA-KETO ACIDS AND ESTERS | SPECTRA GASES, INC. (US) | 2008-01-24 | — | — | WO | disclosed |