Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PKM | P14618 | 1/20 | 0.55 |
| ▸ | CA1 | P00915 | 6/20 | 0.54 |
| ▸ | CA2 | P00918 | 6/20 | 0.54 |
| ▸ | PGR | P06401 | 7/20 | 0.51 |
| ▸ | TP53 | P04637 | 1/20 | 0.49 |
| ▸ | CA12 | O43570 | 4/20 | 0.49 |
| ▸ | CA9 | Q16790 | 4/20 | 0.49 |
| ▸ | CA4 | P22748 | 2/20 | 0.49 |
| ▸ | LMNA | P02545 | 1/20 | 0.48 |
| ▸ | MAPT | P10636 | 1/20 | 0.48 |
| ▸ | TDP1 | Q9NUW8 | 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 | |
|---|---|---|---|---|
| SCHEMBL13429310 | 0.89 | CA1 (0.57) | CA1CA2CA12CA9CA4 | |
| SCHEMBL13111191 | 0.87 | CA12 (0.55) | PKMCA1CA2CA12CA9 | |
| SCHEMBL3474863 | 0.87 | CA1 (0.50) | CA1CA2CA12CA9CA4 | |
| SCHEMBL3423034 | 0.87 | CA1 (0.64) | CA1CA2CA12CA9CA4 | |
| SCHEMBL597124 | 0.87 | CA1 (0.61) | CA1CA2CA12CA9CA4 | |
| Hydrochloric Acid SCHEMBL3474087 | 0.86 | CA12 (0.53) | PKMCA1CA2CA12CA9 | |
| SCHEMBL3475988 | 0.86 | CA1 (0.49) | CA1CA2CA12CA9CA4 | |
| SCHEMBL3424697 | 0.86 | ALDH1A1 (0.51) | CA1CA2CA12CA9CA4 | |
| SCHEMBL13111500 | 0.86 | CA1 (0.49) | CA1CA2CA12CA9CA4 | |
| SCHEMBL13428580 | 0.86 | CA12 (0.54) | CA1CA2PGRCA12CA9 |
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-2010045505-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 |