Predicted protein targets (top 7)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | BACE1 | P56817 | 1/20 | 0.37 |
| ▸ | CA12 | O43570 | 1/20 | 0.31 |
| ▸ | CA1 | P00915 | 1/20 | 0.31 |
| ▸ | CA2 | P00918 | 1/20 | 0.31 |
| ▸ | CA7 | P43166 | 1/20 | 0.31 |
| ▸ | CA9 | Q16790 | 1/20 | 0.31 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL7950963 | 0.72 | — | — | |
| SCHEMBL7475752 | 0.70 | — | — | |
| Phloroglucinol SCHEMBL27994526 | 0.68 | BACE1 (0.67) | BACE1CA12CA1CA2CA7 | |
| SCHEMBL19024853 | 0.65 | BACE1 (0.41) | BACE1CA12CA1CA2CA7 | |
| SCHEMBL465617 | 0.65 | CYP3A4 (0.33) | — | |
| SCHEMBL3019632 | 0.65 | BACE1 (0.50) | BACE1CA12CA1CA2CA7 | |
| SCHEMBL7666919 | 0.64 | MYC (0.44) | — | |
| Phloroglucinol SCHEMBL11060846 | 0.63 | BACE1 (0.57) | BACE1CA12CA1CA2CA7 | |
| Phloroglucinol SCHEMBL28193058 | 0.63 | BACE1 (0.57) | BACE1CA12CA1CA2CA7 | |
| SCHEMBL7158339 | 0.63 | CYP3A4 (0.40) | BACE1CA12CA1CA2CA7 |
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 |
|---|---|---|---|---|---|---|---|
| US-6191273-B1 | 3,6,10,14-SUBSTITUTED-3,6,10,16-TETRAAZABICYCLO(10.3.1)-HEXADE CA-1(16),12,14-TRIENE COMPOUNDS OF GIVEN FORMULA; ANTIBACTERIAL AND OTHER UTILITIES, SUCH AS TO SCREEN FOR PESTICIDES OR DRUGS | ISIS PHARMACEUTICALS, INC. | 2001-02-20 | — | — | US | disclosed |