Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTR1A | P08908 | 4/20 | 0.51 |
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.47 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.47 |
| ▸ | GAA | P10253 | 2/20 | 0.47 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.47 |
| ▸ | MEN1 | O00255 | 2/20 | 0.47 |
| ▸ | USP2 | O75604 | 2/20 | 0.47 |
| ▸ | MAPT | P10636 | 3/20 | 0.46 |
| ▸ | RAB9A | P51151 | 3/20 | 0.46 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.46 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.46 |
| ▸ | NPC1 | O15118 | 2/20 | 0.46 |
| ▸ | TP53 | P04637 | 1/20 | 0.46 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.46 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.46 |
| ▸ | HRH3 | Q9Y5N1 | 4/20 | 0.45 |
| ▸ | SLC6A4 | P31645 | 3/20 | 0.45 |
| ▸ | HTR3E | A5X5Y0 | 2/20 | 0.45 |
| ▸ | HTR3B | O95264 | 2/20 | 0.45 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.45 |
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 | |
|---|---|---|---|---|
| SCHEMBL30046397 | 1.00 | HTR1A (0.51) | HTR1AALDH1A1KDM4EGAAKMT2A | |
| SCHEMBL16453850 | 0.90 | ALDH1A1 (0.62) | ALDH1A1KDM4EGAAKMT2AMEN1 | |
| SCHEMBL11705831 | 0.80 | ALDH1A1 (0.50) | ALDH1A1KDM4EGAAKMT2AMEN1 | |
| SCHEMBL10792966 | 0.79 | KMT2A (0.48) | HTR1AALDH1A1KDM4EGAAKMT2A | |
| SCHEMBL3798927 | 0.78 | RECQL (0.51) | HTR1AALDH1A1KDM4EGAAKMT2A | |
| SCHEMBL5200701 | 0.76 | KDM4E (0.54) | ALDH1A1KDM4EGAAKMT2AMEN1 | |
| SCHEMBL5742495 | 0.75 | USP2 (0.48) | HTR1AALDH1A1KDM4EGAAKMT2A | |
| SCHEMBL19343042 | 0.73 | NPC1 (0.50) | HTR1AALDH1A1KDM4EGAAKMT2A | |
| SCHEMBL7329332 | 0.73 | MEN1 (0.42) | ALDH1A1KDM4EGAAKMT2AMEN1 | |
| SCHEMBL5201507 | 0.73 | ALDH1A1 (0.40) | ALDH1A1KDM4EGAAKMT2AMEN1 |
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-109232367-A | The method of one step building drug molecule precursor 2- (2,2- diethoxy ethyl) isoindoline -1,3- diketone | 桂林理工大学 | 2019-01-18 | — | — | CN | disclosed |
| US-4167638-A | Process for production of 8-NHR quinolines | THE UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY OF THE ARMY (US) | 1979-09-11 | — | — | US | disclosed |