Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.70 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.70 |
| ▸ | LMNA | P02545 | 1/20 | 0.45 |
| ▸ | CA2 | P00918 | 1/20 | 0.39 |
| ▸ | TSHR | P16473 | 1/20 | 0.38 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.35 |
| ▸ | KISS1R | Q969F8 | 2/20 | 0.33 |
| ▸ | SLC22A16 | Q86VW1 | 1/20 | 0.33 |
| ▸ | FFAR1 | O14842 | 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 | |
|---|---|---|---|---|
| Methyl Isobutyl Ketone SCHEMBL10350337 | 1.00 | ALDH1A1 (0.70) | ALDH1A1TDP1LMNACA2TSHR | |
| Methyl Isobutyl Ketone SCHEMBL16684652 | 0.87 | TDP1 (0.74) | ALDH1A1TDP1CA2TSHRCYP2C19 | |
| Methyl Isobutyl Ketone SCHEMBL2560340 | 0.87 | ALDH1A1 (0.82) | ALDH1A1TDP1CA2TSHRCYP2C19 | |
| Methyl Isobutyl Ketone SCHEMBL106048 | 0.84 | ALDH1A1 (0.88) | ALDH1A1TDP1LMNACA2CYP2C19 | |
| Methyl Isobutyl Ketone SCHEMBL1580340 | 0.84 | — | — | |
| Methyl Isobutyl Ketone SCHEMBL15458 | 0.84 | — | — | |
| Methyl Isobutyl Ketone SCHEMBL1128055 | 0.84 | ALDH1A1 (1.00) | ALDH1A1TDP1CA2CYP2C19KISS1R | |
| Glycerin SCHEMBL8035166 | 0.82 | CYP2C19 (0.52) | ALDH1A1TDP1LMNACA2TSHR | |
| SCHEMBL14706003 | 0.81 | — | — | |
| SCHEMBL689567 | 0.81 | — | — |
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-6096692-A | CYLIC KETALS AND ACDTALS HAVING HEAT AND OXIDATION RESISTANCE, ARE FREE FROM CARBOXYLIC ACIDS FORMING DUE TO HYDROLYSIS, LOW IN HYGROSCOPICITY, INEXPENSIVE, GOOD INSULATION AND COMPATIBLE WITH HYDROFLUOROCARBONS; WORKING FLUID REFRIGERANTS | KAO CORPORATION (JP) | 2000-08-01 | — | — | US | disclosed |