Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADRA1D | P25100 | 4/20 | 0.49 |
| ▸ | ADRA1A | P35348 | 4/20 | 0.49 |
| ▸ | ADRA1B | P35368 | 4/20 | 0.49 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.49 |
| ▸ | MEN1 | O00255 | 2/20 | 0.49 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.46 |
| ▸ | LMNA | P02545 | 2/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.46 |
| ▸ | THRB | P10828 | 1/20 | 0.45 |
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 | |
|---|---|---|---|---|
| SCHEMBL23310509 | 0.90 | KMT2A (0.58) | KMT2AMEN1SMN1; SMN2LMNAALDH1A1 | |
| SCHEMBL28159814 | 0.89 | KMT2A (0.47) | ADRA1DADRA1AADRA1BKMT2AMEN1 | |
| SCHEMBL28159409 | 0.85 | NPSR1 (0.52) | KMT2AMEN1SMN1; SMN2LMNAALDH1A1 | |
| SCHEMBL3788597 | 0.82 | HTT (0.56) | KMT2AMEN1ALDH1A1 | |
| SCHEMBL27952072 | 0.81 | GAA (0.50) | ADRA1DADRA1AKMT2AMEN1SMN1; SMN2 | |
| SCHEMBL27952027 | 0.81 | MAOB (0.53) | KMT2AMEN1LMNAALDH1A1 | |
| SCHEMBL28846848 | 0.81 | ACACB (0.51) | KMT2AMEN1SMN1; SMN2LMNAALDH1A1 | |
| SCHEMBL31167181 | 0.79 | KMT2A (0.50) | ADRA1DADRA1AKMT2AMEN1ALDH1A1 | |
| SCHEMBL6166995 | 0.79 | KMT2A (0.50) | ADRA1DADRA1AKMT2AMEN1SMN1; SMN2 | |
| SCHEMBL31167233 | 0.79 | KMT2A (0.50) | ADRA1DADRA1AKMT2AMEN1 |
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 |
|---|---|---|---|---|---|---|---|
| CN-103626713-B | Ketone (thioketones) the class compound of nitrogen (oxygen) heterocycle pentane 2, its pharmaceutical composition, preparation method and purposes | 中国科学院上海药物研究所 | 2017-07-04 | — | — | CN | disclosed |