Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.42 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.42 |
| ▸ | TSHR | P16473 | 2/20 | 0.41 |
| ▸ | CES2 | O00748 | 9/20 | 0.40 |
| ▸ | CES1 | P23141 | 4/20 | 0.40 |
| ▸ | GPR84 | Q9NQS5 | 6/20 | 0.39 |
| ▸ | AKR1B1 | P15121 | 1/20 | 0.39 |
| ▸ | TP53 | P04637 | 1/20 | 0.39 |
| ▸ | PPARG | P37231 | 2/20 | 0.37 |
| ▸ | PPARD | Q03181 | 2/20 | 0.37 |
| ▸ | PPARA | Q07869 | 2/20 | 0.37 |
| ▸ | SLC22A6 | Q4U2R8 | 1/20 | 0.37 |
| ▸ | SLC22A8 | Q8TCC7 | 1/20 | 0.37 |
| ▸ | TLR2 | O60603 | 1/20 | 0.37 |
| ▸ | HDAC11 | Q96DB2 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| Hexane SCHEMBL3117746 | 1.00 | ALDH1A1 (0.42) | ALDH1A1TDP1TSHRCES2CES1 | |
| Heptane SCHEMBL1591594 | 0.98 | TSHR (0.44) | ALDH1A1TDP1TSHRCES2CES1 | |
| SCHEMBL100425 | 0.87 | — | — | |
| Hexane SCHEMBL17651760 | 0.86 | ALDH1A1 (0.52) | ALDH1A1TSHRCES2 | |
| Alcohol SCHEMBL7158555 | 0.84 | ALDH1A1 (0.46) | ALDH1A1TDP1TSHR | |
| Methyl Alcohol SCHEMBL6420552 | 0.84 | — | — | |
| Acetone SCHEMBL1405517 | 0.84 | ALDH1A1 (0.50) | ALDH1A1TDP1 | |
| Water SCHEMBL6432972 | 0.84 | ALDH1A1 (0.50) | ALDH1A1TDP1 | |
| Acetone SCHEMBL1843282 | 0.84 | ALDH1A1 (0.50) | ALDH1A1TDP1 | |
| Methylene Chloride SCHEMBL861591 | 0.81 | ALDH1A1 (0.48) | ALDH1A1TDP1 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2004018414-A2 | ANTIBACTERIAL AGENTS | PHARMACIA & UPJOHN COMPANY LLC (US) | 2004-03-04 | — | — | WO | disclosed |