Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HSD17B1 | P14061 | 13/20 | 0.69 |
| ▸ | HSD17B2 | P37059 | 13/20 | 0.69 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.57 |
| ▸ | HSD17B14 | Q9BPX1 | 1/20 | 0.51 |
| ▸ | PGR | P06401 | 1/20 | 0.48 |
| ▸ | BRD4 | O60885 | 1/20 | 0.48 |
| ▸ | BRD2 | P25440 | 1/20 | 0.48 |
| ▸ | CREBBP | Q92793 | 1/20 | 0.48 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.47 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.47 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.47 |
| ▸ | DHFR | P00374 | 1/20 | 0.47 |
| ▸ | CHEK1 | O14757 | 1/20 | 0.47 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.47 |
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 | |
|---|---|---|---|---|
| SCHEMBL28903928 | 0.86 | HSD17B1 (0.69) | HSD17B1HSD17B2ESR2HSD17B14 | |
| SCHEMBL29904856 | 0.86 | HSD17B1 (0.69) | HSD17B1HSD17B2ESR2HSD17B14 | |
| SCHEMBL20056592 | 0.85 | HSD17B1 (0.68) | HSD17B1HSD17B2ESR2HSD17B14 | |
| SCHEMBL10389918 | 0.83 | MAP4K4 (0.59) | PGRBRD4BRD2CREBBPDHFR | |
| SCHEMBL4701077 | 0.82 | ERN1 (0.68) | HSD17B1HSD17B2ESR2 | |
| SCHEMBL20056694 | 0.82 | ERN1 (0.68) | HSD17B1HSD17B2ESR2HSD17B14 | |
| SCHEMBL15269612 | 0.82 | HSD17B1 (0.64) | HSD17B1HSD17B2ESR2HSD17B14CYP3A4 | |
| SCHEMBL2785303 | 0.81 | HDAC2 (0.49) | HSD17B1HSD17B2PGRBRD4BRD2 | |
| SCHEMBL16581352 | 0.81 | HSD17B1 (0.77) | HSD17B1HSD17B2ESR2CYP3A4CYP2D6 | |
| SCHEMBL2586835 | 0.81 | KMO (0.59) | PGRBRD4BRD2CREBBPDHFR |
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 |
|---|---|---|---|---|---|---|---|
| EP-2970353-B1 | MANNOSE DERIVATIVES FOR TREATING BACTERIAL INFECTIONS | VERTEX PHARMA (US) | 2018-04-18 | — | — | EP | disclosed |