Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | POLB | P06746 | 2/20 | 0.64 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.62 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.62 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.62 |
| ▸ | CASP1 | P29466 | 1/20 | 0.62 |
| ▸ | CASP7 | P55210 | 1/20 | 0.62 |
| ▸ | CYP2C19 | P33261 | 3/20 | 0.58 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.58 |
| ▸ | PABPC1 | P11940 | 1/20 | 0.53 |
| ▸ | TSHR | P16473 | 1/20 | 0.52 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.52 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.51 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.51 |
| ▸ | GAA | P10253 | 1/20 | 0.51 |
| ▸ | MAPT | P10636 | 1/20 | 0.51 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.51 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.51 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.50 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.50 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.50 |
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 | |
|---|---|---|---|---|
| SCHEMBL10888855 | 0.90 | POLB (0.62) | POLBALDH1A1HSD17B10CYP3A4CASP1 | |
| SCHEMBL8399660 | 0.87 | POLB (0.59) | POLBALDH1A1HSD17B10CYP3A4CASP1 | |
| SCHEMBL295965 | 0.86 | POLB (0.66) | POLBALDH1A1HSD17B10CYP3A4CASP1 | |
| SCHEMBL3776315 | 0.85 | POLB (0.69) | POLBALDH1A1HSD17B10CYP3A4CASP1 | |
| SCHEMBL11205169 | 0.84 | POLB (0.56) | POLBALDH1A1HSD17B10CYP3A4CASP1 | |
| SCHEMBL16029241 | 0.83 | ALDH1A1 (0.63) | POLBALDH1A1HSD17B10CYP3A4CASP1 | |
| SCHEMBL3368846 | 0.83 | POLB (0.69) | POLBALDH1A1HSD17B10CYP3A4CASP1 | |
| SCHEMBL16029861 | 0.82 | POLB (0.56) | POLBALDH1A1HSD17B10CYP3A4CASP1 | |
| SCHEMBL6503920 | 0.81 | ALDH1A1 (0.60) | POLBALDH1A1HSD17B10CYP3A4CASP1 | |
| SCHEMBL515773 | 0.81 | POLB (0.77) | POLBALDH1A1HSD17B10CYP3A4CASP1 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-114886897-A | Pharmaceutical composition containing theophylline acetaldehyde or hydrate thereof, and preparation method and application thereof | 无锡尔云科技有限公司 | 2022-08-12 | — | — | CN | claimed |
| EP-0007591-B1 | STABLE MEDICINAL SOLUTION ON THE BASIS OF 2,6-DIAMINO-5-(3',4',5'-TRIMETHOXYBENZYL)-PYRIMIDINE(TRIMETHOPRIM) AND A SULPHONAMIDE, PROCESS FOR PREPARING AND USING IT | CIBA-GEIGY AG (CH) | 1982-07-28 | — | — | EP | claimed |
| CN-114886897-A | Pharmaceutical composition containing theophylline acetaldehyde or hydrate thereof, and preparation method and application thereof | 无锡尔云科技有限公司 | 2022-08-12 | — | — | CN | disclosed |