Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TYMP | P19971 | 4/20 | 0.42 |
| ▸ | KAT2B | Q92831 | 2/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.37 |
| ▸ | TP53 | P04637 | 1/20 | 0.37 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.37 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.37 |
| ▸ | G6PD | P11413 | 1/20 | 0.37 |
| ▸ | HPGD | P15428 | 1/20 | 0.37 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.37 |
| ▸ | TSHR | P16473 | 1/20 | 0.37 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.37 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.37 |
| ▸ | MGLL | Q99685 | 4/20 | 0.36 |
| ▸ | FAAH | O00519 | 3/20 | 0.36 |
| ▸ | PTGS1 | P23219 | 3/20 | 0.34 |
| ▸ | PTGS2 | P35354 | 3/20 | 0.34 |
| ▸ | GPR84 | Q9NQS5 | 1/20 | 0.34 |
| ▸ | MAPT | P10636 | 1/20 | 0.33 |
| ▸ | THRB | P10828 | 1/20 | 0.33 |
| ▸ | TDP1 | Q9NUW8 | 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 | |
|---|---|---|---|---|
| SCHEMBL1221319 | 0.83 | TYMP (0.42) | TYMPKAT2BALDH1A1TP53HSP90AA1 | |
| SCHEMBL8062284 | 0.69 | KAT2B (0.50) | KAT2BALDH1A1TP53HSP90AA1CYP3A4 | |
| SCHEMBL725721 | 0.68 | TYMP (0.47) | TYMPALDH1A1HPGDTSHRHSD17B10 | |
| SCHEMBL9724292 | 0.67 | TYMP (0.48) | TYMPALDH1A1HPGDHSD17B10GPR84 | |
| SCHEMBL8444108 | 0.67 | KAT2B (0.61) | KAT2BALDH1A1TP53HSP90AA1CYP3A4 | |
| SCHEMBL8444180 | 0.67 | KAT2B (0.61) | KAT2BALDH1A1TP53HSP90AA1CYP3A4 | |
| SCHEMBL2108260 | 0.67 | KAT2B (0.61) | KAT2BALDH1A1TP53HSP90AA1CYP3A4 | |
| SCHEMBL13837721 | 0.67 | KAT2B (0.61) | KAT2BALDH1A1TP53HSP90AA1CYP3A4 | |
| SCHEMBL8445189 | 0.67 | KAT2B (0.61) | KAT2BALDH1A1TP53HSP90AA1CYP3A4 | |
| SCHEMBL8444183 | 0.67 | KAT2B (0.61) | KAT2BALDH1A1TP53HSP90AA1CYP3A4 |
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 |
|---|---|---|---|---|---|---|---|
| US-6265365-B1 | DIHYDRIC OR POLYHYDRIC ALCOHOLS OR GLYCOL ETHERS; SURFACTANTS; WATER-MISCIBLE ORGANIC SOLVENTS OR SOLVENT MIXTURES; PH REGULATORS; ONE OR MORE BIOCIDES; WATER | MERCK PATENT GESELLSCHAFT MIT (DE) | 2001-07-24 | — | — | US | claimed |