Predicted protein targets (top 6)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA1 | P00915 | 1/20 | 0.54 |
| ▸ | CA2 | P00918 | 1/20 | 0.54 |
| ▸ | VCAM1 | P19320 | 11/20 | 0.40 |
| ▸ | EGFR | P00533 | 1/20 | 0.36 |
| ▸ | ELANE | P08246 | 2/20 | 0.36 |
| ▸ | TNFRSF1A | P19438 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL17270588 | 0.89 | CA1 (0.57) | CA1CA2VCAM1EGFR | |
| SCHEMBL18202076 | 0.85 | CA1 (0.43) | CA1CA2VCAM1ELANETNFRSF1A | |
| SCHEMBL17267258 | 0.84 | CA1 (0.51) | CA1CA2VCAM1EGFRELANE | |
| SCHEMBL17274608 | 0.84 | CA2 (0.67) | CA1CA2VCAM1EGFRTNFRSF1A | |
| SCHEMBL29602570 | 0.82 | CA2 (0.80) | CA1CA2EGFR | |
| SCHEMBL240515 | 0.82 | CA2 (0.80) | CA1CA2EGFR | |
| SCHEMBL13932560 | 0.81 | CA2 (0.59) | CA1CA2VCAM1EGFRTNFRSF1A | |
| SCHEMBL17270586 | 0.76 | CA1 (0.47) | CA1CA2VCAM1EGFRTNFRSF1A | |
| SCHEMBL19954350 | 0.75 | CA1 (0.44) | CA1CA2VCAM1EGFRELANE | |
| SCHEMBL4369204 | 0.75 | CA2 (0.54) | CA1CA2VCAM1EGFRTNFRSF1A |
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 |