Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 4/20 | 0.39 |
| ▸ | TDP1 | Q9NUW8 | 4/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.39 |
| ▸ | TP53 | P04637 | 1/20 | 0.39 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.36 |
| ▸ | CA14 | Q9ULX7 | 3/20 | 0.36 |
| ▸ | ALOX15 | P16050 | 2/20 | 0.36 |
| ▸ | CA3 | P07451 | 1/20 | 0.36 |
| ▸ | THRB | P10828 | 1/20 | 0.36 |
| ▸ | CA6 | P23280 | 1/20 | 0.36 |
| ▸ | CASP1 | P29466 | 1/20 | 0.36 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.36 |
| ▸ | LCK | P06239 | 1/20 | 0.35 |
| ▸ | APP | P05067 | 3/20 | 0.34 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.33 |
| ▸ | CA12 | O43570 | 2/20 | 0.32 |
| ▸ | CA1 | P00915 | 2/20 | 0.32 |
| ▸ | CA2 | P00918 | 2/20 | 0.32 |
| ▸ | CA9 | Q16790 | 2/20 | 0.32 |
| ▸ | MAPT | P10636 | 3/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL7291535 | 0.83 | ESR1 (0.42) | CYP3A4ALDH1A1TP53HSD17B10CA14 | |
| SCHEMBL10402560 | 0.79 | ALOX5 (0.40) | CYP3A4TDP1ALDH1A1HSD17B10CA14 | |
| SCHEMBL183546 | 0.76 | APP (0.40) | CYP3A4ALDH1A1TP53HSD17B10ALOX15 | |
| SCHEMBL6470192 | 0.69 | — | — | |
| SCHEMBL9834983 | 0.68 | ALOX15 (0.55) | CYP3A4TDP1ALDH1A1HSD17B10ALOX15 | |
| SCHEMBL10686525 | 0.65 | CYP3A4 (0.40) | CYP3A4TDP1ALDH1A1TP53HSD17B10 | |
| SCHEMBL4871847 | 0.64 | — | — | |
| SCHEMBL3860568 | 0.64 | SENP1 (0.42) | CYP3A4ALDH1A1TP53HSD17B10CA14 | |
| SCHEMBL133762 | 0.63 | — | — | |
| Pyrogallol SCHEMBL8370384 | 0.63 | ALDH1A1 (0.71) | CYP3A4TDP1ALDH1A1TP53HSD17B10 |
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 |
|---|---|---|---|---|---|---|---|
| EP-0219926-A2 | Cephalosporins, processes for their preparation and pharmaceutical compositions containing them | BEECHAM GROUP PLC (GB) | 1987-04-29 | — | — | EP | claimed |
| US-4835150-A | ANTIBIOTICS | BEECHAM GROUP P.L.C. (GB) | 1989-05-30 | — | — | US | disclosed |
| EP-0219926-A2 | Cephalosporins, processes for their preparation and pharmaceutical compositions containing them | BEECHAM GROUP PLC (GB) | 1987-04-29 | — | — | EP | disclosed |