Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.46 |
| ▸ | RIPK1 | Q13546 | 1/20 | 0.37 |
| ▸ | TAS1R3 | Q7RTX0 | 1/20 | 0.37 |
| ▸ | TAS1R1 | Q7RTX1 | 1/20 | 0.37 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.36 |
| ▸ | TSHR | P16473 | 2/20 | 0.36 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.35 |
| ▸ | TAAR1 | Q96RJ0 | 2/20 | 0.33 |
| ▸ | HTR3A | P46098 | 1/20 | 0.33 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.33 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.33 |
| ▸ | PLAU | P00749 | 1/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.32 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.32 |
| ▸ | APEX1 | P27695 | 1/20 | 0.32 |
| ▸ | AOC3 | Q16853 | 1/20 | 0.32 |
| ▸ | DRD4 | P21917 | 3/20 | 0.31 |
| ▸ | GAA | P10253 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL27555588 | 0.90 | ALDH1A1 (0.44) | ALDH1A1RIPK1TAS1R3TAS1R1TDP1 | |
| SCHEMBL5681566 | 0.83 | ALDH1A1 (0.50) | ALDH1A1TAS1R3TAS1R1TDP1TSHR | |
| SCHEMBL5133124 | 0.82 | TAS1R3 (0.50) | ALDH1A1RIPK1TAS1R3TAS1R1TDP1 | |
| SCHEMBL1901260 | 0.80 | ALDH1A1 (0.42) | ALDH1A1TAS1R3TAS1R1TDP1TSHR | |
| SCHEMBL4237262 | 0.80 | TAS1R3 (0.45) | ALDH1A1RIPK1TAS1R3TAS1R1TDP1 | |
| SCHEMBL5203081 | 0.80 | ALDH1A1 (0.42) | ALDH1A1RIPK1TAS1R3TAS1R1TDP1 | |
| SCHEMBL11982047 | 0.79 | TAS1R3 (0.44) | ALDH1A1RIPK1TAS1R3TAS1R1HDAC8 | |
| SCHEMBL28684202 | 0.79 | KDM4E (0.38) | ALDH1A1RIPK1TDP1TSHRTAAR1 | |
| SCHEMBL4903358 | 0.77 | HTR2A (0.40) | ALDH1A1RIPK1TAS1R3TAS1R1HDAC8 | |
| SCHEMBL7773019 | 0.77 | S1PR2 (0.45) | ALDH1A1TAS1R3TAS1R1 |
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-108433171-A | A kind of selective separation method containing nitroso compound | 张宇 | 2018-08-24 | — | — | CN | disclosed |
| CN-104053483-B | Selective separation of nitroso-containing compounds | 英美烟草(投资)有限公司 | 2016-12-21 | — | — | CN | disclosed |