Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | DGAT1 | O75907 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.38 |
| ▸ | MEN1 | O00255 | 2/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.34 |
| ▸ | LMNA | P02545 | 1/20 | 0.34 |
| ▸ | MAPT | P10636 | 1/20 | 0.34 |
| ▸ | GAA | P10253 | 1/20 | 0.32 |
| ▸ | KCNN4 | O15554 | 1/20 | 0.31 |
| ▸ | PDK1 | Q15118 | 2/20 | 0.31 |
| ▸ | PDK2 | Q15119 | 2/20 | 0.31 |
| ▸ | PDK3 | Q15120 | 2/20 | 0.31 |
| ▸ | PDK4 | Q16654 | 2/20 | 0.31 |
| ▸ | F2 | P00734 | 1/20 | 0.30 |
| ▸ | PRSS1 | P07477 | 1/20 | 0.30 |
| ▸ | PRSS2 | P07478 | 1/20 | 0.30 |
| ▸ | PRSS3 | P35030 | 1/20 | 0.30 |
| ▸ | RAB9A | P51151 | 2/20 | 0.30 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.30 |
| ▸ | NPC1 | O15118 | 1/20 | 0.30 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL1629775 | 1.00 | DGAT1 (0.39) | DGAT1ALDH1A1MEN1KMT2ALMNA | |
| Hydrochloric Acid SCHEMBL20547597 | 0.98 | DGAT1 (0.38) | DGAT1ALDH1A1MEN1KMT2ALMNA | |
| Trifluoroacetic Acid SCHEMBL2366949 | 0.82 | DGAT1 (0.34) | DGAT1ALDH1A1KCNN4 | |
| SCHEMBL30150871 | 0.79 | — | — | |
| SCHEMBL9722993 | 0.74 | DGAT1 (0.42) | DGAT1ALDH1A1MEN1KMT2ALMNA | |
| SCHEMBL12761004 | 0.74 | DGAT1 (0.42) | DGAT1ALDH1A1MEN1KMT2ALMNA | |
| SCHEMBL11034219 | 0.74 | DGAT1 (0.42) | DGAT1ALDH1A1MEN1KMT2ALMNA | |
| SCHEMBL776194 | 0.74 | DGAT1 (0.42) | DGAT1ALDH1A1MEN1KMT2ALMNA | |
| SCHEMBL9345959 | 0.73 | DGAT1 (0.46) | DGAT1ALDH1A1MEN1KMT2ALMNA | |
| SCHEMBL135961 | 0.73 | — | — |
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-6599721-B2 | Chemical intermediates; hydrolysis using hydrolases | LONZA AG (CH) | 2003-07-29 | — | — | US | disclosed |
| US-20020039769-A1 | Process for preparing optically active 3,3,3- trifluoromethyl-2-alkylpropionic acid derivatives | LONZA AG | 2002-04-04 | — | — | US | disclosed |