Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA1 | P00915 | 9/20 | 0.60 |
| ▸ | CA2 | P00918 | 9/20 | 0.60 |
| ▸ | CES1 | P23141 | 1/20 | 0.51 |
| ▸ | MAPT | P10636 | 2/20 | 0.51 |
| ▸ | PKM | P14618 | 2/20 | 0.51 |
| ▸ | PNMT | P11086 | 2/20 | 0.50 |
| ▸ | CA12 | O43570 | 7/20 | 0.49 |
| ▸ | CA9 | Q16790 | 7/20 | 0.49 |
| ▸ | CA4 | P22748 | 6/20 | 0.49 |
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 | |
|---|---|---|---|---|
| SCHEMBL3423034 | 0.93 | CA1 (0.64) | CA1CA2CES1CA12CA9 | |
| SCHEMBL13429301 | 0.85 | CA1 (0.52) | CA1CA2MAPTPKMCA12 | |
| SCHEMBL13429310 | 0.85 | CA1 (0.57) | CA1CA2CA12CA9CA4 | |
| SCHEMBL3426342 | 0.84 | PKM (0.55) | CA1CA2MAPTPKMCA12 | |
| SCHEMBL3422237 | 0.83 | GFER (0.53) | CA1CA2CA12CA9CA4 | |
| SCHEMBL595494 | 0.83 | CA1 (0.56) | CA1CA2CA12CA9CA4 | |
| SCHEMBL3474408 | 0.82 | CA1 (0.52) | CA1CA2CA12CA9CA4 | |
| SCHEMBL1827138 | 0.81 | CA1 (0.50) | CA1CA2CA12CA9CA4 | |
| SCHEMBL13111190 | 0.81 | CA1 (0.53) | CA1CA2CA12CA9CA4 | |
| SCHEMBL3473383 | 0.81 | CA1 (0.53) | CA1CA2CA12CA9CA4 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2010045503-A1 | BORON-CONTAINING SMALL MOLECULES AS ANTI-PROTOZOAL AGENTS | ANACOR PHARMACEUTICALS, INC. (US) | 2010-04-22 | — | — | WO | disclosed |
| WO-2010045505-A1 | BORON-CONTAINING SMALL MOLECULES AS ANTI-PROTOZOAL AGENTS | ANACOR PHARMACEUTICALS, INC (US) | 2010-04-22 | — | — | WO | disclosed |