Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.56 |
| ▸ | UQCRB | P14927 | 2/20 | 0.52 |
| ▸ | CA1 | P00915 | 6/20 | 0.51 |
| ▸ | CA2 | P00918 | 6/20 | 0.51 |
| ▸ | CA12 | O43570 | 5/20 | 0.51 |
| ▸ | CA9 | Q16790 | 5/20 | 0.51 |
| ▸ | PTPN5 | P54829 | 1/20 | 0.50 |
| ▸ | FFAR1 | O14842 | 1/20 | 0.50 |
| ▸ | FFAR4 | Q5NUL3 | 1/20 | 0.50 |
| ▸ | MEN1 | O00255 | 2/20 | 0.49 |
| ▸ | MAPT | P10636 | 2/20 | 0.49 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.49 |
| ▸ | CA4 | P22748 | 2/20 | 0.49 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.49 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.49 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.49 |
| ▸ | IKBKB | O14920 | 1/20 | 0.48 |
| ▸ | RORA | P35398 | 1/20 | 0.48 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.48 |
| ▸ | HDAC11 | Q96DB2 | 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 | |
|---|---|---|---|---|
| SCHEMBL13429149 | 0.88 | CA12 (0.66) | CA1CA2CA12CA9MAPT | |
| SCHEMBL13429353 | 0.87 | CA1 (0.60) | ALDH1A1CA1CA2CA12CA9 | |
| SCHEMBL3473546 | 0.87 | CA1 (0.52) | CA1CA2CA12CA9CA4 | |
| SCHEMBL3474408 | 0.87 | CA1 (0.52) | CA1CA2CA12CA9CA4 | |
| SCHEMBL13111190 | 0.85 | CA1 (0.53) | CA1CA2CA12CA9FFAR4 | |
| SCHEMBL3473383 | 0.85 | CA1 (0.53) | CA1CA2CA12CA9CA4 | |
| SCHEMBL13637114 | 0.84 | CA1 (0.52) | CA1CA2CA12CA9CA4 | |
| SCHEMBL1135223 | 0.84 | CA1 (0.57) | CA1CA2CA12CA9CA4 | |
| SCHEMBL3423034 | 0.84 | CA1 (0.64) | CA1CA2CA12CA9CA4 | |
| SCHEMBL3421164 | 0.84 | CA12 (0.64) | CA1CA2CA12CA9KMT2A |
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 |