Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.34 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.34 |
| ▸ | NPC1 | O15118 | 1/20 | 0.34 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.34 |
| ▸ | SLC6A4 | P31645 | 3/20 | 0.33 |
| ▸ | SLC6A3 | Q01959 | 3/20 | 0.33 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.33 |
| ▸ | GAA | P10253 | 1/20 | 0.33 |
| ▸ | MAPT | P10636 | 1/20 | 0.33 |
| ▸ | NQO1 | P15559 | 1/20 | 0.33 |
| ▸ | MEN1 | O00255 | 1/20 | 0.32 |
| ▸ | HTT | P42858 | 1/20 | 0.32 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.32 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.32 |
| ▸ | ATM | Q13315 | 1/20 | 0.32 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.32 |
| ▸ | POLB | P06746 | 1/20 | 0.32 |
| ▸ | DDB1 | Q16531 | 1/20 | 0.32 |
| ▸ | CRBN | Q96SW2 | 1/20 | 0.32 |
| ▸ | DRD2 | P14416 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL24322076 | 0.92 | SLC6A4 (0.38) | ALDH1A1KDM4ESLC6A4SLC6A3SLC6A2 | |
| SCHEMBL8973167 | 0.77 | ALDH1A1 (0.35) | ALDH1A1NPC1GAAMAPTMEN1 | |
| SCHEMBL4333830 | 0.76 | ESR2 (0.42) | — | |
| SCHEMBL337274 | 0.73 | KDM1A (0.40) | — | |
| SCHEMBL8196759 | 0.73 | GAA (0.35) | ALDH1A1SLC6A4SLC6A3SLC6A2GAA | |
| SCHEMBL8972571 | 0.72 | MAOB (0.40) | ALDH1A1NPC1GAAMAPTMEN1 | |
| SCHEMBL28182334 | 0.70 | SLC6A4 (0.44) | SLC6A4SLC6A3SLC6A2MEN1KMT2A | |
| SCHEMBL8675186 | 0.67 | OPRL1 (0.35) | — | |
| 1-Methoxy-4-Ethoxybenzene SCHEMBL354674 | 0.65 | NQO1 (0.78) | ALDH1A1KDM4ENPC1CYP1A2GAA | |
| SCHEMBL10804482 | 0.63 | NQO1 (0.50) | ALDH1A1KDM4EGAAMAPTNQO1 |
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 |
|---|---|---|---|---|---|---|---|
| US-20230235115-A1 | ESTER COMPOUND AND RESIN COMPOSITION | AJINOMOTO CO., INC. (JP) | 2023-07-27 | — | — | US | disclosed |