Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NR1I2 | O75469 | 5/20 | 0.50 |
| ▸ | ESR1 | P03372 | 2/20 | 0.50 |
| ▸ | PPARG | P37231 | 2/20 | 0.50 |
| ▸ | PGR | P06401 | 2/20 | 0.50 |
| ▸ | TDP1 | Q9NUW8 | 7/20 | 0.50 |
| ▸ | HSD17B10 | Q99714 | 4/20 | 0.50 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.49 |
| ▸ | DRD2 | P14416 | 1/20 | 0.43 |
| ▸ | ADRA2B | P18089 | 1/20 | 0.43 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.43 |
| ▸ | MAPT | P10636 | 5/20 | 0.42 |
| ▸ | APEX1 | P27695 | 3/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.42 |
| ▸ | POLB | P06746 | 2/20 | 0.42 |
| ▸ | RECQL | P46063 | 2/20 | 0.42 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.42 |
| ▸ | PKM | P14618 | 1/20 | 0.42 |
| ▸ | ABCC4 | O15439 | 1/20 | 0.42 |
| ▸ | LMNA | P02545 | 1/20 | 0.42 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL11066421 | 0.89 | NR1I2 (0.58) | NR1I2ESR1PPARGPGRTDP1 | |
| SCHEMBL11248421 | 0.85 | NR1I2 (0.48) | NR1I2ESR1PPARGPGRTDP1 | |
| SCHEMBL10835266 | 0.85 | NR1I2 (0.47) | NR1I2ESR1PPARGPGRTDP1 | |
| SCHEMBL10835601 | 0.84 | NR1I2 (0.57) | NR1I2ESR1PPARGPGRTDP1 | |
| SCHEMBL9826508 | 0.83 | NR1I2 (0.49) | NR1I2ESR1PPARGPGRTDP1 | |
| SCHEMBL10836442 | 0.83 | CTDSP1 (0.53) | NR1I2ESR1PPARGPGRTDP1 | |
| SCHEMBL11068335 | 0.83 | TDP1 (0.64) | NR1I2ESR1PPARGPGRTDP1 | |
| SCHEMBL10804947 | 0.82 | PTGS1 (0.41) | NR1I2ESR1PPARGPGRTDP1 | |
| SCHEMBL10806085 | 0.81 | PTGS1 (0.41) | NR1I2ESR1PPARGPGRTDP1 | |
| SCHEMBL11247274 | 0.81 | NR1I2 (0.47) | NR1I2ESR1PPARGPGRTDP1 |
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-4464368-A | 7-(2-(2-AMINOTHIAZOL-4-YL)-2-(CARBOXY-ALK-2-OXYIMINO)ACETAMIDO) -3-((2-ALKYL-PYRAZOLINIUM-1-YL)METHYL)CEPHEM-4-CARBOXYLATES | GLAXO GROUP LIMITED (GB) | 1984-08-07 | — | — | US | disclosed |