Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | LMNA | P02545 | 2/20 | 0.46 |
| ▸ | CA1 | P00915 | 1/20 | 0.45 |
| ▸ | CA2 | P00918 | 1/20 | 0.45 |
| ▸ | TRPA1 | O75762 | 2/20 | 0.44 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.44 |
| ▸ | CACNA1C | Q13936 | 1/20 | 0.44 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.44 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.44 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.44 |
| ▸ | HTR2B | P41595 | 1/20 | 0.44 |
| ▸ | GABRA1 | P14867 | 1/20 | 0.43 |
| ▸ | GABRB2 | P47870 | 1/20 | 0.43 |
| ▸ | MCL1 | Q07820 | 1/20 | 0.41 |
| ▸ | HSP90AA1 | P07900 | 2/20 | 0.40 |
| ▸ | HSP90AB1 | P08238 | 2/20 | 0.40 |
| ▸ | APP | P05067 | 1/20 | 0.39 |
| ▸ | THRA | P10827 | 7/20 | 0.39 |
| ▸ | THRB | P10828 | 7/20 | 0.39 |
| ▸ | HSD17B1 | P14061 | 1/20 | 0.39 |
| ▸ | HSD17B2 | P37059 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL4395181 | 0.89 | CA1 (0.54) | LMNACA1CA2TRPA1PTGS1 | |
| SCHEMBL29392149 | 0.82 | ALOX5 (0.56) | CA1CA2GABRA1GABRB2HSD17B1 | |
| SCHEMBL16581399 | 0.82 | APP (0.56) | LMNACA1CA2TRPA1PTGS1 | |
| SCHEMBL503448 | 0.82 | ALOX5 (0.56) | CA1CA2GABRA1GABRB2HSD17B1 | |
| SCHEMBL8714891 | 0.80 | ALOX5 (0.57) | LMNACA1CA2GABRA1GABRB2 | |
| SCHEMBL7081272 | 0.80 | CA1 (0.50) | LMNACA1CA2TRPA1CHRM1 | |
| SCHEMBL14382115 | 0.79 | HSD17B1 (0.56) | HSP90AA1HSP90AB1APPHSD17B1HSD17B2 | |
| SCHEMBL30016939 | 0.79 | LMNA (0.48) | LMNACA1CA2TRPA1PTGS1 | |
| SCHEMBL18311984 | 0.78 | RORC (0.60) | LMNATRPA1PTGS1CACNA1CCHRM1 | |
| SCHEMBL28182019 | 0.78 | GABRA1 (0.47) | LMNACA1CA2TRPA1PTGS1 |
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 |