Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PDK2 | Q15119 | 1/20 | 0.36 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.34 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.34 |
| ▸ | ACHE | P22303 | 1/20 | 0.33 |
| ▸ | CYP4F2 | P78329 | 1/20 | 0.33 |
| ▸ | CYP4A11 | Q02928 | 1/20 | 0.33 |
| ▸ | LMNA | P02545 | 3/20 | 0.33 |
| ▸ | HDAC3 | O15379 | 4/20 | 0.32 |
| ▸ | HDAC4 | P56524 | 4/20 | 0.32 |
| ▸ | HDAC1 | Q13547 | 4/20 | 0.32 |
| ▸ | HDAC7 | Q8WUI4 | 4/20 | 0.32 |
| ▸ | HDAC2 | Q92769 | 4/20 | 0.32 |
| ▸ | HDAC10 | Q969S8 | 4/20 | 0.32 |
| ▸ | HDAC11 | Q96DB2 | 4/20 | 0.32 |
| ▸ | HDAC8 | Q9BY41 | 4/20 | 0.32 |
| ▸ | HDAC6 | Q9UBN7 | 4/20 | 0.32 |
| ▸ | HDAC9 | Q9UKV0 | 4/20 | 0.32 |
| ▸ | HDAC5 | Q9UQL6 | 4/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.32 |
| ▸ | CTSG | P08311 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| Trifluoroacetic Acid SCHEMBL30320103 | 0.85 | L3MBTL1 (0.37) | L3MBTL1NPSR1ACHELMNAHDAC3 | |
| Trifluoroacetic Acid SCHEMBL26087231 | 0.82 | PDK2 (0.37) | PDK2L3MBTL1LMNAALDH1A1SMN1; SMN2 | |
| Trifluoroacetic Acid SCHEMBL30147380 | 0.82 | CYP4F2 (0.34) | PDK2CYP4F2CYP4A11LMNAALDH1A1 | |
| Trifluoroacetic Acid SCHEMBL26086337 | 0.79 | ALDH1A1 (0.41) | PDK2LMNAALDH1A1SMN1; SMN2MEN1 | |
| SCHEMBL26414339 | 0.79 | L3MBTL1 (0.52) | L3MBTL1NPSR1CYP4F2CYP4A11LMNA | |
| SCHEMBL26149648 | 0.78 | L3MBTL1 (0.42) | L3MBTL1NPSR1ACHELMNAALDH1A1 | |
| Trifluoroacetic Acid SCHEMBL21631876 | 0.78 | SYK (0.35) | PDK2L3MBTL1NPSR1ACHELMNA | |
| Trifluoroacetic Acid SCHEMBL21632250 | 0.77 | SYK (0.36) | PDK2L3MBTL1NPSR1LMNAALDH1A1 | |
| Formic Acid SCHEMBL26087463 | 0.76 | NPSR1 (0.47) | L3MBTL1NPSR1ACHECYP4F2CYP4A11 | |
| Trifluoroacetic Acid SCHEMBL21631878 | 0.76 | CYP11B1 (0.37) | PDK2L3MBTL1LMNAMEN1KMT2A |
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 |
|---|---|---|---|---|---|---|---|
| EP-4154009-A1 | REAGENT FOR MASS SPECTROMETRY | F. Hoffmann-La Roche AG (CH) | 2023-03-29 | — | — | EP | disclosed |