Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.37 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.37 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.33 |
| ▸ | HDAC3 | O15379 | 5/20 | 0.33 |
| ▸ | HDAC1 | Q13547 | 5/20 | 0.33 |
| ▸ | HDAC2 | Q92769 | 5/20 | 0.33 |
| ▸ | HDAC4 | P56524 | 4/20 | 0.33 |
| ▸ | HDAC7 | Q8WUI4 | 4/20 | 0.33 |
| ▸ | HDAC10 | Q969S8 | 4/20 | 0.33 |
| ▸ | HDAC11 | Q96DB2 | 4/20 | 0.33 |
| ▸ | HDAC8 | Q9BY41 | 4/20 | 0.33 |
| ▸ | HDAC6 | Q9UBN7 | 4/20 | 0.33 |
| ▸ | HDAC9 | Q9UKV0 | 4/20 | 0.33 |
| ▸ | HDAC5 | Q9UQL6 | 4/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.32 |
| ▸ | NCOR2 | Q9Y618 | 1/20 | 0.32 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.32 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.32 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.32 |
| ▸ | F10 | P00742 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL26149648 | 0.89 | L3MBTL1 (0.42) | L3MBTL1NPSR1CYP2D6ALDH1A1CYP1A2 | |
| Trifluoroacetic Acid SCHEMBL30320101 | 0.85 | PDK2 (0.36) | L3MBTL1NPSR1HDAC3HDAC1HDAC2 | |
| Trifluoroacetic Acid SCHEMBL30320104 | 0.83 | CYP2D6 (0.38) | CYP2D6HDAC3HDAC1HDAC2ALDH1A1 | |
| Trifluoroacetic Acid SCHEMBL30320106 | 0.83 | CYP2D6 (0.38) | CYP2D6HDAC3HDAC1HDAC2ALDH1A1 | |
| Trifluoroacetic Acid SCHEMBL23326584 | 0.81 | CYP1A2 (0.39) | L3MBTL1NPSR1CYP2D6HDAC3HDAC1 | |
| SCHEMBL26087979 | 0.79 | NPSR1 (0.56) | L3MBTL1NPSR1CYP2D6HDAC8HDAC6 | |
| Trifluoroacetic Acid SCHEMBL30216950 | 0.78 | ACHE (0.34) | L3MBTL1NPSR1CYP2D6HDAC1HDAC11 | |
| Trifluoroacetic Acid SCHEMBL30216955 | 0.78 | L3MBTL1 (0.40) | L3MBTL1NPSR1ALDH1A1KDM4ETDP1 | |
| Trifluoroacetic Acid SCHEMBL23326582 | 0.77 | CYP1A2 (0.36) | L3MBTL1NPSR1CYP2D6CYP1A2CYP3A4 | |
| Trifluoroacetic Acid SCHEMBL23326904 | 0.77 | CYP1A2 (0.37) | L3MBTL1NPSR1CYP2D6CYP1A2CYP3A4 |
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 |