Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 7/20 | 0.50 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.50 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.50 |
| ▸ | PKM | P14618 | 1/20 | 0.45 |
| ▸ | MAPK8 | P45983 | 2/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.42 |
| ▸ | MEN1 | O00255 | 3/20 | 0.42 |
| ▸ | HPGD | P15428 | 1/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.41 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.41 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.41 |
| ▸ | GCK | P35557 | 1/20 | 0.40 |
| ▸ | P2RX3 | P56373 | 3/20 | 0.40 |
| ▸ | GAA | P10253 | 2/20 | 0.40 |
| ▸ | MAPT | P10636 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL10699924 | 0.88 | ALDH1A1 (0.45) | ALDH1A1L3MBTL1TDP1PKMKMT2A | |
| SCHEMBL8568267 | 0.88 | ALDH1A1 (0.48) | ALDH1A1L3MBTL1TDP1PKMMAPK8 | |
| SCHEMBL8566558 | 0.85 | ALDH1A1 (0.52) | ALDH1A1L3MBTL1TDP1PKMMAPK8 | |
| SCHEMBL12794738 | 0.80 | POLB (0.43) | ALDH1A1L3MBTL1TDP1P2RX3 | |
| SCHEMBL16041735 | 0.77 | HCRTR2 (0.42) | ALDH1A1L3MBTL1KMT2AHPGDGAA | |
| SCHEMBL10666285 | 0.76 | KMT2A (0.45) | ALDH1A1L3MBTL1TDP1KMT2AMEN1 | |
| SCHEMBL3757644 | 0.76 | TDP1 (0.46) | ALDH1A1L3MBTL1TDP1MAPK8KMT2A | |
| SCHEMBL29096161 | 0.76 | TDP1 (0.46) | ALDH1A1L3MBTL1TDP1PKMMAPK8 | |
| SCHEMBL20704159 | 0.75 | MEN1 (0.44) | ALDH1A1L3MBTL1TDP1MAPK8KMT2A | |
| SCHEMBL27958077 | 0.75 | NOS3 (0.47) | ALDH1A1L3MBTL1TDP1KMT2AMEN1 |
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-110878044-A | Novel preparation method of 4-alkoxy nicotinic acid compound | 南京农业大学 | 2020-03-13 | — | — | CN | disclosed |