Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.48 |
| ▸ | ACHE | P22303 | 3/20 | 0.40 |
| ▸ | CYP1A1 | P04798 | 6/20 | 0.38 |
| ▸ | CYP1B1 | Q16678 | 6/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.37 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.36 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.34 |
| ▸ | CYP2E1 | P05181 | 2/20 | 0.34 |
| ▸ | CYP2C8 | P10632 | 2/20 | 0.34 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.34 |
| ▸ | CYP2A6 | P11509 | 2/20 | 0.34 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.34 |
| ▸ | CYP4B1 | P13584 | 2/20 | 0.34 |
| ▸ | CYP2B6 | P20813 | 2/20 | 0.34 |
| ▸ | CYP3A5 | P20815 | 2/20 | 0.34 |
| ▸ | CYP2A7 | P20853 | 2/20 | 0.34 |
| ▸ | CYP3A7 | P24462 | 2/20 | 0.34 |
| ▸ | CYP2F1 | P24903 | 2/20 | 0.34 |
| ▸ | CYP2C18 | P33260 | 2/20 | 0.34 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL12501 | 0.81 | ALDH1A1 (0.73) | ALDH1A1ACHECYP1A1CYP1B1CYP3A4 | |
| SCHEMBL14446349 | 0.80 | ALDH1A1 (0.50) | ALDH1A1ACHECYP1A1CYP1B1CYP3A4 | |
| SCHEMBL16951841 | 0.78 | ALDH1A1 (0.48) | ALDH1A1ACHECYP1A1CYP1B1CYP3A4 | |
| SCHEMBL145855 | 0.75 | ALDH1A1 (0.62) | ALDH1A1ACHECYP1A1CYP1B1CYP3A4 | |
| SCHEMBL29587173 | 0.73 | ALDH1A1 (0.59) | ALDH1A1ACHECYP1A1CYP1B1CYP3A4 | |
| SCHEMBL9325829 | 0.72 | ALDH1A1 (0.41) | ALDH1A1ACHECYP1A1CYP1B1CYP3A4 | |
| SCHEMBL16958828 | 0.70 | ALDH1A1 (0.48) | ALDH1A1ACHECYP1A1CYP1B1CYP3A4 | |
| SCHEMBL22826708 | 0.70 | ACHE (0.52) | ALDH1A1ACHECYP3A4MAPTKMT2A | |
| 1,3,5-Trimethoxybenzene SCHEMBL28493 | 0.69 | ALDH1A1 (1.00) | ALDH1A1CYP1A1CYP1B1CYP3A4CYP1A2 | |
| SCHEMBL23458208 | 0.69 | ALDH1A1 (0.61) | ALDH1A1CYP1A1CYP1B1CYP3A4CYP1A2 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2458995-A1 | TRISUBSTITUTED BORON-CONTAINING MOLECULES | Anacor Pharmaceuticals, Inc. (US) | 2012-06-06 | — | — | EP | disclosed |