Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTGS2 | P35354 | 12/20 | 0.48 |
| ▸ | CA12 | O43570 | 4/20 | 0.48 |
| ▸ | CA1 | P00915 | 4/20 | 0.48 |
| ▸ | CA2 | P00918 | 4/20 | 0.48 |
| ▸ | CA9 | Q16790 | 4/20 | 0.48 |
| ▸ | PTGS1 | P23219 | 2/20 | 0.48 |
| ▸ | MT-CO2 | P00403 | 1/20 | 0.48 |
| ▸ | LMNA | P02545 | 1/20 | 0.48 |
| ▸ | CA3 | P07451 | 1/20 | 0.48 |
| ▸ | ADRB2 | P07550 | 1/20 | 0.48 |
| ▸ | ADRB1 | P08588 | 1/20 | 0.48 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.48 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.48 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.48 |
| ▸ | ADRA2B | P18089 | 1/20 | 0.48 |
| ▸ | CA4 | P22748 | 1/20 | 0.48 |
| ▸ | CA6 | P23280 | 1/20 | 0.48 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.48 |
| ▸ | PDE4A | P27815 | 1/20 | 0.48 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.48 |
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 | |
|---|---|---|---|---|
| SCHEMBL6435526 | 0.84 | PTGS2 (0.67) | PTGS2CA12CA1CA2CA9 | |
| SCHEMBL8478997 | 0.84 | PTGS2 (0.46) | PTGS2CA12CA1CA2CA9 | |
| SCHEMBL8473413 | 0.83 | PTGS2 (0.48) | PTGS2CA12CA1CA2CA9 | |
| SCHEMBL8474342 | 0.83 | PTGS2 (0.48) | PTGS2CA12CA1CA2CA9 | |
| SCHEMBL8348672 | 0.83 | PTGS2 (0.67) | PTGS2CA12CA1CA2CA9 | |
| SCHEMBL8478627 | 0.83 | PTGS2 (0.45) | PTGS2CA12CA1CA2CA9 | |
| SCHEMBL8476203 | 0.83 | PTGS2 (0.57) | PTGS2CA12CA1CA2CA9 | |
| SCHEMBL8475023 | 0.81 | PTGS2 (0.49) | PTGS2CA12CA1CA2CA9 | |
| SCHEMBL8473427 | 0.80 | PTGS2 (0.51) | PTGS2CA12CA1CA2CA9 | |
| SCHEMBL8473861 | 0.80 | PTGS2 (0.67) | PTGS2CA12CA1CA2CA9 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2003089013-A1 | CYCLOOXYGENASE-2 SELECTIVE AGENTS USEFUL AS IMAGING PROBES AND RELATED METHODS | THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) | 2003-10-30 | — | — | WO | disclosed |