Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KMT2A | Q03164 | 7/20 | 0.64 |
| ▸ | MEN1 | O00255 | 5/20 | 0.64 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.59 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.59 |
| ▸ | THRB | P10828 | 1/20 | 0.59 |
| ▸ | CYP2C9 | P11712 | 3/20 | 0.53 |
| ▸ | CYP2C19 | P33261 | 3/20 | 0.53 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.53 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.53 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.53 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.53 |
| ▸ | LMNA | P02545 | 2/20 | 0.53 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.52 |
| ▸ | USP2 | O75604 | 1/20 | 0.52 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.51 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.51 |
| ▸ | NPC1 | O15118 | 2/20 | 0.51 |
| ▸ | RAB9A | P51151 | 2/20 | 0.51 |
| ▸ | MAPT | P10636 | 1/20 | 0.50 |
| ▸ | PKM | P14618 | 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 | |
|---|---|---|---|---|
| SCHEMBL14174938 | 0.86 | KMT2A (0.76) | KMT2AMEN1CYP3A4CYP1A2CYP2C9 | |
| SCHEMBL21082056 | 0.85 | KMT2A (0.74) | KMT2AMEN1CYP3A4CYP1A2THRB | |
| SCHEMBL7892909 | 0.82 | KMT2A (0.67) | KMT2AMEN1CYP3A4CYP1A2THRB | |
| SCHEMBL21082051 | 0.82 | KMT2A (0.59) | KMT2AMEN1CYP3A4CYP1A2THRB | |
| SCHEMBL21082057 | 0.81 | KMT2A (0.62) | KMT2AMEN1CYP3A4CYP1A2THRB | |
| SCHEMBL21082067 | 0.81 | KMT2A (0.58) | KMT2AMEN1CYP3A4CYP1A2THRB | |
| SCHEMBL12974089 | 0.79 | THRB (0.67) | KMT2AMEN1CYP3A4CYP1A2THRB | |
| SCHEMBL3819701 | 0.79 | KMT2A (0.71) | KMT2AMEN1CYP3A4CYP1A2THRB | |
| SCHEMBL21082064 | 0.79 | KMT2A (0.71) | KMT2AMEN1CYP3A4CYP1A2THRB | |
| SCHEMBL15173528 | 0.78 | THRB (0.60) | KMT2AMEN1CYP3A4CYP1A2THRB |
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 |
|---|---|---|---|---|---|---|---|
| EP-3505512-B1 | QUATERNARY NICOTINAMIDE DERVIATIVES AS PRECURSORS FOR RELEASE OF MNA | UNIV JAGIELLONSKI (PL) | 2022-03-09 | — | — | EP | disclosed |
| EP-3505512-A1 | QUATERNARY NICOTINAMIDE DERVIATIVES AS PRECURSORS FOR RELEASE OF MNA | UNIWERSYTET JAGIELLONSKI (PL) | 2019-07-03 | — | — | EP | disclosed |