Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CES1 | P23141 | 6/20 | 0.65 |
| ▸ | CES2 | O00748 | 5/20 | 0.65 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.62 |
| ▸ | MAPT | P10636 | 1/20 | 0.62 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.58 |
| ▸ | TP53 | P04637 | 1/20 | 0.58 |
| ▸ | CA1 | P00915 | 1/20 | 0.55 |
| ▸ | AKR1B1 | P15121 | 1/20 | 0.50 |
| ▸ | HAO1 | Q9UJM8 | 1/20 | 0.48 |
| ▸ | PPARG | P37231 | 5/20 | 0.48 |
| ▸ | PPARD | Q03181 | 5/20 | 0.48 |
| ▸ | PPARA | Q07869 | 5/20 | 0.48 |
| ▸ | HDAC11 | Q96DB2 | 4/20 | 0.48 |
| ▸ | TSHR | P16473 | 3/20 | 0.48 |
| ▸ | GPR84 | Q9NQS5 | 3/20 | 0.48 |
| ▸ | TLR2 | O60603 | 2/20 | 0.48 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.48 |
| ▸ | FABP4 | P15090 | 2/20 | 0.48 |
| ▸ | PTPN1 | P18031 | 2/20 | 0.48 |
| ▸ | SLC22A6 | Q4U2R8 | 1/20 | 0.48 |
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 | |
|---|---|---|---|---|
| SCHEMBL106334 | 1.00 | CES1 (0.65) | CES1CES2KMT2AMAPTALDH1A1 | |
| Butane SCHEMBL18262804 | 0.97 | CES1 (0.61) | CES1CES2KMT2AMAPTALDH1A1 | |
| SCHEMBL17228575 | 0.97 | CES1 (0.61) | CES1CES2KMT2AMAPTALDH1A1 | |
| Methyl Alcohol SCHEMBL28964337 | 0.97 | CES1 (0.61) | CES1CES2KMT2AMAPTALDH1A1 | |
| SCHEMBL1771855 | 0.97 | CES1 (0.61) | CES1CES2KMT2AMAPTALDH1A1 | |
| Charcoal, Activated SCHEMBL2063571 | 0.97 | CES1 (0.61) | CES1CES2KMT2AMAPTALDH1A1 | |
| SCHEMBL11872988 | 0.97 | CES1 (0.61) | CES1CES2KMT2AMAPTALDH1A1 | |
| Hydrochloric Acid SCHEMBL7445198 | 0.97 | CES1 (0.61) | CES1CES2KMT2AMAPTALDH1A1 | |
| SCHEMBL8465449 | 0.97 | KMT2A (0.67) | CES1CES2KMT2AMAPTALDH1A1 | |
| SCHEMBL28163431 | 0.97 | CES1 (0.61) | CES1CES2KMT2AMAPTALDH1A1 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-107880957-A | Modify 5 nonanones | 奈斯特化学公司 | 2018-04-06 | — | — | CN | disclosed |
| CN-101541725-B | Method for producing carbonyl compound an pro-oxidant used for production of carbonyl compound | UNIV NAGOYA NAT UNIV CORP | 2013-08-28 | — | — | CN | disclosed |
| CN-101541725-A | Method for producing carbonyl compound an pro-oxidant used for production of carbonyl compound | UNIV NAGOYA NAT UNIV CORP (JP) | 2009-09-23 | — | — | CN | disclosed |