Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.52 |
| ▸ | NR1I2 | O75469 | 1/20 | 0.50 |
| ▸ | PGR | P06401 | 1/20 | 0.50 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.50 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.50 |
| ▸ | PDE4D | Q08499 | 1/20 | 0.50 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.47 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.47 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.47 |
| ▸ | TSHR | P16473 | 1/20 | 0.47 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.47 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.47 |
| ▸ | DGKA | P23743 | 1/20 | 0.47 |
| ▸ | MAPT | P10636 | 2/20 | 0.44 |
| ▸ | LTA4H | P09960 | 3/20 | 0.42 |
| ▸ | RAB9A | P51151 | 1/20 | 0.41 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.41 |
| ▸ | MGLL | Q99685 | 1/20 | 0.41 |
| ▸ | MGAM | O43451 | 1/20 | 0.41 |
| ▸ | GAA | P10253 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL29014489 | 0.90 | DGKA (0.45) | CYP1A2NR1I2PGRADORA3PTGS2 | |
| SCHEMBL3964566 | 0.86 | NR1I2 (0.59) | CYP1A2NR1I2PGRADORA3PTGS2 | |
| SCHEMBL1306604 | 0.84 | TSHR (0.59) | CYP1A2NR1I2PGRADORA3PTGS2 | |
| SCHEMBL23632921 | 0.83 | DGKA (0.71) | ALDH1A1TSHRDGKAMAPTMGLL | |
| SCHEMBL3672432 | 0.83 | DGKA (0.71) | ALDH1A1TSHRDGKAMAPTMGLL | |
| SCHEMBL17075879 | 0.83 | DGKA (0.71) | ALDH1A1TSHRDGKAMAPTMGLL | |
| SCHEMBL10403027 | 0.83 | DGKA (0.71) | ALDH1A1TSHRDGKAMAPTMGLL | |
| SCHEMBL7946850 | 0.82 | TSHR (0.62) | CYP1A2NR1I2PGRADORA3PTGS2 | |
| SCHEMBL1686744 | 0.82 | TSHR (0.62) | CYP1A2NR1I2PGRADORA3PTGS2 | |
| SCHEMBL89184 | 0.82 | TSHR (0.62) | CYP1A2NR1I2PGRADORA3PTGS2 |
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-112778133-A | high-pH-value chrome tanning auxiliary agent containing polyfunctional group structure and preparation method and application thereof | 南京工业大学 | 2021-05-11 | — | — | CN | disclosed |