Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.58 |
| ▸ | TDP1 | Q9NUW8 | 3/20 | 0.58 |
| ▸ | CES2 | O00748 | 1/20 | 0.33 |
| ▸ | CES1 | P23141 | 1/20 | 0.33 |
| ▸ | CA2 | P00918 | 1/20 | 0.33 |
| ▸ | FFAR3 | O14843 | 3/20 | 0.32 |
| ▸ | HDAC3 | O15379 | 3/20 | 0.32 |
| ▸ | HDAC1 | Q13547 | 3/20 | 0.32 |
| ▸ | HDAC2 | Q92769 | 3/20 | 0.32 |
| ▸ | HDAC8 | Q9BY41 | 3/20 | 0.32 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.31 |
| ▸ | TSHR | P16473 | 1/20 | 0.31 |
| ▸ | KISS1R | Q969F8 | 2/20 | 0.30 |
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 SCHEMBL22321104 | 0.89 | ALDH1A1 (0.67) | ALDH1A1TDP1CES2CES1CA2 | |
| Methyl Isobutyl Ketone SCHEMBL28107139 | 0.85 | ALDH1A1 (0.61) | ALDH1A1TDP1CES2CES1CA2 | |
| Methyl Isobutyl Ketone SCHEMBL691876 | 0.84 | TDP1 (0.74) | ALDH1A1TDP1CA2FFAR3CYP2C19 | |
| Methyl Isobutyl Ketone SCHEMBL306141 | 0.84 | ALDH1A1 (0.82) | ALDH1A1TDP1CA2FFAR3CYP2C19 | |
| Methyl Isobutyl Ketone SCHEMBL9817215 | 0.82 | ALDH1A1 (0.70) | ALDH1A1TDP1CES2CES1CA2 | |
| Methyl Isobutyl Ketone SCHEMBL8231134 | 0.82 | TDP1 (0.70) | ALDH1A1TDP1CA2FFAR3CYP2C19 | |
| Methyl Isobutyl Ketone SCHEMBL2240499 | 0.82 | ALDH1A1 (0.78) | ALDH1A1TDP1CA2FFAR3CYP2C19 | |
| Methyl Isobutyl Ketone SCHEMBL28106970 | 0.80 | ALDH1A1 (0.74) | ALDH1A1TDP1CA2FFAR3CYP2C19 | |
| Butanone SCHEMBL29275306 | 0.80 | TDP1 (0.57) | ALDH1A1TDP1CA2FFAR3CYP2C19 | |
| Methyl Isobutyl Ketone SCHEMBL9056069 | 0.79 | ALDH1A1 (0.82) | ALDH1A1TDP1CA2CYP2C19 |
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-2003027378-A1 | DYE REMOVAL FROM DENIM SCRAP WITH A FORCED CIRCULATION KIER | ENVIRONMENT TEXTILES USA, INC. (US) | 2003-04-03 | — | — | WO | disclosed |