Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA1 | P00915 | 2/20 | 0.39 |
| ▸ | CA2 | P00918 | 2/20 | 0.39 |
| ▸ | CA4 | P22748 | 2/20 | 0.39 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.31 |
| ▸ | PTGS1 | P23219 | 7/20 | 0.30 |
| ▸ | PTGS2 | P35354 | 6/20 | 0.30 |
| ▸ | MT-CO1 | P00395 | 1/20 | 0.30 |
| ▸ | MT-CO2 | P00403 | 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 | |
|---|---|---|---|---|
| SCHEMBL12166480 | 0.82 | CA1 (0.50) | CA1CA2CA4PTGS1PTGS2 | |
| SCHEMBL9154803 | 0.79 | CA1 (0.56) | CA1CA2CA4SIGMAR1 | |
| SCHEMBL22564565 | 0.79 | CA1 (0.40) | CA1CA2CA4PTGS1PTGS2 | |
| SCHEMBL12166572 | 0.78 | CA1 (0.65) | CA1CA2CA4PTGS1PTGS2 | |
| SCHEMBL12166760 | 0.73 | CA1 (0.46) | CA1CA2CA4PTGS1PTGS2 | |
| SCHEMBL13266307 | 0.72 | SIGMAR1 (0.39) | SIGMAR1 | |
| SCHEMBL1615265 | 0.71 | SIGMAR1 (0.48) | CA1CA2CA4SIGMAR1 | |
| SCHEMBL18468277 | 0.71 | SIGMAR1 (0.40) | CA1CA2CA4SIGMAR1 | |
| SCHEMBL22104125 | 0.69 | SIGMAR1 (0.43) | SIGMAR1 | |
| SCHEMBL28723340 | 0.69 | PTGS1 (0.36) | CA1CA2CA4PTGS1PTGS2 |
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-2871185-A1 | NITROGEN-CONTAINING HETEROCYCLIC COMPOUND AND ORGANIC ELECTRONIC DEVICE COMPRISING SAME | LG Chem, Ltd. (KR) | 2015-05-13 | — | — | EP | disclosed |