Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA1 | P00915 | 1/20 | 0.43 |
| ▸ | CA2 | P00918 | 1/20 | 0.43 |
| ▸ | VCAM1 | P19320 | 4/20 | 0.33 |
| ▸ | TNFRSF1A | P19438 | 1/20 | 0.33 |
| ▸ | ELANE | P08246 | 8/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.31 |
| ▸ | GAA | P10253 | 1/20 | 0.31 |
| ▸ | NR1H4 | Q96RI1 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL17270586 | 0.88 | CA1 (0.47) | CA1CA2VCAM1TNFRSF1A | |
| SCHEMBL18202075 | 0.85 | CA1 (0.54) | CA1CA2VCAM1TNFRSF1AELANE | |
| SCHEMBL17267257 | 0.85 | CA1 (0.41) | CA1CA2VCAM1TNFRSF1AELANE | |
| SCHEMBL17285536 | 0.83 | CA1 (0.49) | CA1CA2TNFRSF1AALDH1A1GAA | |
| SCHEMBL10789476 | 0.79 | CA1 (0.57) | CA1CA2VCAM1TNFRSF1AALDH1A1 | |
| SCHEMBL7149136 | 0.78 | CA1 (0.49) | CA1CA2TNFRSF1AALDH1A1GAA | |
| SCHEMBL18950756 | 0.77 | CA1 (0.37) | CA1CA2VCAM1TNFRSF1AELANE | |
| SCHEMBL4369204 | 0.75 | CA2 (0.54) | CA1CA2VCAM1TNFRSF1AALDH1A1 | |
| SCHEMBL9192342 | 0.74 | CA1 (0.52) | CA1CA2TNFRSF1AALDH1A1GAA | |
| SCHEMBL17270588 | 0.74 | CA1 (0.57) | CA1CA2VCAM1 |
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-3088407-A1 | NOVEL MONOPHOSPHIT COMPOUNDS WITH AN ESTER GROUP | Evonik Degussa GmbH (DE) | 2016-11-02 | — | — | EP | disclosed |