Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA12 | O43570 | 1/20 | 0.35 |
| ▸ | CA1 | P00915 | 1/20 | 0.35 |
| ▸ | CA2 | P00918 | 1/20 | 0.35 |
| ▸ | CA7 | P43166 | 1/20 | 0.35 |
| ▸ | CA9 | Q16790 | 1/20 | 0.35 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.35 |
| ▸ | CYP3A4 | P08684 | 4/20 | 0.35 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.34 |
| ▸ | ABCB1 | P08183 | 2/20 | 0.34 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.33 |
| ▸ | CYP1A1 | P04798 | 2/20 | 0.33 |
| ▸ | CYP1B1 | Q16678 | 2/20 | 0.33 |
| ▸ | DRD1 | P21728 | 2/20 | 0.33 |
| ▸ | HTT | P42858 | 1/20 | 0.33 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.33 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.33 |
| ▸ | HPGD | P15428 | 2/20 | 0.33 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL19122792 | 0.65 | CA1 (0.47) | CA12CA1CA2CA7CA9 | |
| SCHEMBL6200978 | 0.63 | CYP3A4 (0.53) | CYP3A4MAPK1ALDH1A1CYP1A2HTT | |
| SCHEMBL9749595 | 0.63 | CYP3A4 (0.42) | CA12CA1CA2CA7CA9 | |
| SCHEMBL1402596 | 0.62 | ALDH1A1 (0.53) | CA12CA1CA2CA7CA9 | |
| SCHEMBL10269072 | 0.62 | PDE4A (0.47) | CA12CA1CA2CA9CYP3A4 | |
| Hydrochloric Acid SCHEMBL5316243 | 0.62 | CA1 (0.45) | CA12CA1CA2CA7CA9 | |
| Difucol Hexamethyl Ether SCHEMBL505203 | 0.61 | CYP1A2 (0.60) | CA12CA1CA2CA7CA9 | |
| SCHEMBL14885029 | 0.61 | CYP3A4 (0.40) | CA12CA1CA2CA7CA9 | |
| SCHEMBL29434781 | 0.61 | KDM4E (0.71) | CA1CA2CYP3A4MAPK1ALDH1A1 | |
| SCHEMBL6520631 | 0.61 | ALDH1A1 (0.50) | CA12CA1CA2CA7CA9 |
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 |
|---|---|---|---|---|---|---|---|
| US-9572823-B2 | Boron-containing small molecules | ANACOR PHARMACEUTICALS, INC. (US) | 2017-02-21 | — | — | US | disclosed |
| US-9566290-B2 | Boron-containing small molecules | ANACOR PHARMACEUTICALS, INC. (US) | 2017-02-14 | — | — | US | disclosed |