Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP19A1 | P11511 | 3/20 | 0.36 |
| ▸ | NPC1 | O15118 | 3/20 | 0.35 |
| ▸ | MEN1 | O00255 | 1/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.35 |
| ▸ | MEP1B | Q16820 | 1/20 | 0.34 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.34 |
| ▸ | GSK3B | P49841 | 2/20 | 0.34 |
| ▸ | RAB9A | P51151 | 2/20 | 0.34 |
| ▸ | POLB | P06746 | 1/20 | 0.34 |
| ▸ | GAA | P10253 | 1/20 | 0.34 |
| ▸ | CA1 | P00915 | 1/20 | 0.33 |
| ▸ | CA2 | P00918 | 1/20 | 0.33 |
| ▸ | CETP | P11597 | 1/20 | 0.33 |
| ▸ | AR | P10275 | 1/20 | 0.33 |
| ▸ | HCRTR2 | O43614 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL2179019 | 0.82 | MT-CO2 (0.35) | CYP19A1GAAAR | |
| SCHEMBL14698064 | 0.76 | KMT2A (0.54) | NPC1MEN1KMT2AALDH1A1RAB9A | |
| SCHEMBL18625530 | 0.74 | ALDH1A1 (0.45) | MEN1KMT2AALDH1A1POLBGAA | |
| SCHEMBL16584847 | 0.73 | GSK3B (0.45) | ALDH1A1CYP2A6GSK3BCA1CA2 | |
| SCHEMBL152218 | 0.72 | ALDH1A1 (0.46) | MEN1KMT2AALDH1A1CYP2A6CA2 | |
| SCHEMBL18556032 | 0.72 | RAB9A (0.43) | NPC1MEN1KMT2AALDH1A1RAB9A | |
| SCHEMBL9394223 | 0.70 | PKM (0.35) | NPC1MEN1KMT2AALDH1A1RAB9A | |
| SCHEMBL14697483 | 0.69 | KCNA5 (0.46) | NPC1MEN1KMT2AALDH1A1GSK3B | |
| SCHEMBL1705319 | 0.69 | CA2 (0.45) | ALDH1A1CYP2A6GSK3BGAACA1 | |
| SCHEMBL3840073 | 0.68 | MEN1 (0.42) | NPC1MEN1KMT2AALDH1A1POLB |
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 |
|---|---|---|---|---|---|---|---|
| EP-2348863-A1 | BORON-CONTAINING SMALL MOLECULES | Anacor Pharmaceuticals, Inc. (US) | 2011-08-03 | — | — | EP | disclosed |
| WO-2010027975-A1 | BORON-CONTAINING SMALL MOLECULES | ANACOR PHARMACEUTICALS, INC. (US) | 2010-03-11 | — | — | WO | disclosed |