Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | THRB | P10828 | 1/20 | 0.73 |
| ▸ | MEN1 | O00255 | 4/20 | 0.61 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.61 |
| ▸ | NPC1 | O15118 | 3/20 | 0.61 |
| ▸ | RAB9A | P51151 | 2/20 | 0.61 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.61 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.59 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.59 |
| ▸ | EPHX2 | P34913 | 3/20 | 0.58 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.58 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.58 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.57 |
| ▸ | TSHR | P16473 | 1/20 | 0.56 |
| ▸ | PLOD2 | O00469 | 1/20 | 0.56 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.55 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.55 |
| ▸ | APP | P05067 | 1/20 | 0.55 |
| ▸ | GAA | P10253 | 1/20 | 0.55 |
| ▸ | HCAR3 | P49019 | 1/20 | 0.55 |
| ▸ | HCAR2 | Q8TDS4 | 1/20 | 0.55 |
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 | |
|---|---|---|---|---|
| Nicotinuric Acid SCHEMBL30183567 | 0.98 | THRB (0.75) | THRBMEN1KMT2ANPC1RAB9A | |
| Nicotinuric Acid SCHEMBL351962 | 0.98 | THRB (0.75) | THRBMEN1KMT2ANPC1RAB9A | |
| Nicotinuric Acid SCHEMBL9227412 | 0.97 | THRB (0.73) | THRBMEN1KMT2ANPC1RAB9A | |
| Nicotinuric Acid SCHEMBL28292397 | 0.97 | THRB (0.73) | THRBMEN1KMT2ANPC1RAB9A | |
| Nicotinuric Acid SCHEMBL1219783 | 0.91 | THRB (0.65) | THRBMEN1KMT2ANPC1RAB9A | |
| Nicotinuric Acid SCHEMBL15012491 | 0.90 | THRB (0.63) | THRBMEN1KMT2ANPC1RAB9A | |
| Nicotinuric Acid SCHEMBL1219715 | 0.90 | THRB (0.63) | THRBMEN1KMT2ANPC1RAB9A | |
| SCHEMBL22983350 | 0.87 | NAMPT (0.66) | THRBMEN1KMT2ANPC1RAB9A | |
| Nicotinuric Acid SCHEMBL1219821 | 0.86 | THRB (0.58) | THRBMEN1KMT2ANPC1RAB9A | |
| SCHEMBL3864600 | 0.85 | THRB (0.75) | THRBMEN1KMT2ANPC1RAB9A |
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-109689035-A | Composition comprising choline | 巴尔化学公司 | 2019-04-26 | — | — | CN | disclosed |