Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HDAC1 | Q13547 | 2/20 | 0.54 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.54 |
| ▸ | THRB | P10828 | 1/20 | 0.54 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.53 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.52 |
| ▸ | MEN1 | O00255 | 2/20 | 0.52 |
| ▸ | RAB9A | P51151 | 2/20 | 0.52 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.52 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.52 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.52 |
| ▸ | NPC1 | O15118 | 1/20 | 0.52 |
| ▸ | LMNA | P02545 | 2/20 | 0.51 |
| ▸ | GAA | P10253 | 2/20 | 0.51 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.51 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.51 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.51 |
| ▸ | MAPT | P10636 | 2/20 | 0.50 |
| ▸ | GFER | P55789 | 1/20 | 0.50 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.50 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.50 |
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 | |
|---|---|---|---|---|
| SCHEMBL27889653 | 0.88 | HDAC1 (0.53) | HDAC1HDAC6THRBALDH1A1KMT2A | |
| SCHEMBL27873273 | 0.86 | HDAC1 (0.58) | HDAC1HDAC6THRBALDH1A1KMT2A | |
| SCHEMBL27889580 | 0.85 | HDAC1 (0.54) | HDAC1HDAC6THRBALDH1A1KMT2A | |
| SCHEMBL9565915 | 0.81 | ALDH1A1 (0.59) | HDAC1HDAC6THRBALDH1A1KMT2A | |
| SCHEMBL28208212 | 0.81 | KDM4E (0.56) | HDAC1ALDH1A1KMT2ASMN1; SMN2HDAC3 | |
| SCHEMBL4315070 | 0.80 | ALDH1A1 (0.61) | HDAC1HDAC6ALDH1A1KMT2AMEN1 | |
| SCHEMBL27873274 | 0.80 | ALDH1A1 (0.53) | HDAC1HDAC6THRBALDH1A1KMT2A | |
| SCHEMBL21793728 | 0.79 | TBXAS1 (0.53) | — | |
| SCHEMBL4731567 | 0.79 | ALDH1A1 (0.66) | HDAC1HDAC6THRBALDH1A1KMT2A | |
| SCHEMBL21082065 | 0.79 | HDAC1 (0.54) | HDAC1HDAC6THRBALDH1A1KMT2A |
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-3505512-A1 | QUATERNARY NICOTINAMIDE DERVIATIVES AS PRECURSORS FOR RELEASE OF MNA | UNIWERSYTET JAGIELLONSKI (PL) | 2019-07-03 | — | — | EP | disclosed |