Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.52 |
| ▸ | NR4A2 | P43354 | 2/20 | 0.47 |
| ▸ | CCR1 | P32246 | 2/20 | 0.45 |
| ▸ | CCR8 | P51685 | 2/20 | 0.45 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.45 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.41 |
| ▸ | MAPT | P10636 | 2/20 | 0.41 |
| ▸ | CASP6 | P55212 | 1/20 | 0.41 |
| ▸ | DOT1L | Q8TEK3 | 2/20 | 0.40 |
| ▸ | SLC40A1 | Q9NP59 | 2/20 | 0.40 |
| ▸ | MEN1 | O00255 | 1/20 | 0.40 |
| ▸ | CASP1 | P29466 | 1/20 | 0.40 |
| ▸ | CASP7 | P55210 | 1/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.40 |
| ▸ | POLB | P06746 | 2/20 | 0.39 |
| ▸ | NPC1 | O15118 | 1/20 | 0.39 |
| ▸ | RAB9A | P51151 | 1/20 | 0.39 |
| ▸ | GAA | P10253 | 1/20 | 0.38 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| Quinoline SCHEMBL16047322 | 0.81 | ALDH1A1 (0.55) | ALDH1A1NR4A2CCR1CCR8L3MBTL1 | |
| SCHEMBL5488191 | 0.80 | CYP2A6 (0.48) | ALDH1A1L3MBTL1CYP3A4MAPTMEN1 | |
| SCHEMBL29720333 | 0.80 | CYP2A6 (0.48) | ALDH1A1L3MBTL1CYP3A4MAPTMEN1 | |
| Quinoline SCHEMBL27814102 | 0.74 | ALDH1A1 (0.77) | ALDH1A1NR4A2CCR1CCR8L3MBTL1 | |
| Triphenylene SCHEMBL28084439 | 0.74 | ALDH1A1 (0.85) | ALDH1A1NR4A2CCR1CCR8CYP3A4 | |
| Quinoline SCHEMBL28105560 | 0.74 | ALDH1A1 (0.85) | ALDH1A1NR4A2CCR1CCR8CYP3A4 | |
| Quinoline SCHEMBL5569889 | 0.74 | ALDH1A1 (0.85) | ALDH1A1NR4A2CCR1CCR8CYP3A4 | |
| Quinoline SCHEMBL30072013 | 0.74 | ALDH1A1 (0.94) | ALDH1A1NR4A2CCR1CCR8CYP3A4 | |
| Quinoline SCHEMBL29774014 | 0.74 | ALDH1A1 (0.94) | ALDH1A1NR4A2CCR1CCR8CYP3A4 | |
| Quinoline SCHEMBL137291 | 0.74 | ALDH1A1 (0.94) | ALDH1A1NR4A2CCR1CCR8CYP3A4 |
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 |
|---|---|---|---|---|---|---|---|
| CN-114634803-A | Ultrahigh-temperature-resistant acidizing corrosion inhibitor suitable for 180-200 ℃ and preparation method thereof | 西南石油大学 | 2022-06-17 | — | — | CN | claimed |
| CN-114634803-A | Ultrahigh-temperature-resistant acidizing corrosion inhibitor suitable for 180-200 ℃ and preparation method thereof | 西南石油大学 | 2022-06-17 | — | — | CN | disclosed |