Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.54 |
| ▸ | TDP1 | Q9NUW8 | 3/20 | 0.54 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.53 |
| ▸ | MAPT | P10636 | 1/20 | 0.53 |
| ▸ | CES2 | O00748 | 3/20 | 0.45 |
| ▸ | CES1 | P23141 | 3/20 | 0.45 |
| ▸ | LMNA | P02545 | 2/20 | 0.44 |
| ▸ | MEN1 | O00255 | 2/20 | 0.44 |
| ▸ | FAAH | O00519 | 1/20 | 0.44 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.44 |
| ▸ | HAO1 | Q9UJM8 | 1/20 | 0.44 |
| ▸ | PPARG | P37231 | 6/20 | 0.43 |
| ▸ | PPARD | Q03181 | 6/20 | 0.43 |
| ▸ | PPARA | Q07869 | 6/20 | 0.43 |
| ▸ | HDAC11 | Q96DB2 | 5/20 | 0.43 |
| ▸ | TSHR | P16473 | 4/20 | 0.43 |
| ▸ | GPR84 | Q9NQS5 | 4/20 | 0.43 |
| ▸ | TLR2 | O60603 | 2/20 | 0.43 |
| ▸ | FABP4 | P15090 | 2/20 | 0.43 |
| ▸ | PTPN1 | P18031 | 2/20 | 0.43 |
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 SCHEMBL28180590 | 0.96 | ALDH1A1 (0.58) | ALDH1A1TDP1KMT2AMAPTCES2 | |
| 2-Decanone SCHEMBL10511757 | 0.88 | ALDH1A1 (0.58) | ALDH1A1TDP1KMT2ACES2CES1 | |
| Methyl Isobutyl Ketone SCHEMBL4469718 | 0.88 | ALDH1A1 (0.70) | ALDH1A1TDP1KMT2ACES2CES1 | |
| Dodecane SCHEMBL28230254 | 0.88 | ALDH1A1 (0.70) | ALDH1A1TDP1KMT2ACES2CES1 | |
| Methyl Nonyl Ketone SCHEMBL9717380 | 0.86 | KMT2A (0.50) | ALDH1A1TDP1KMT2AMAPTCES2 | |
| Methyl Isobutyl Ketone SCHEMBL9045794 | 0.86 | ALDH1A1 (0.61) | ALDH1A1TDP1KMT2ACES2CES1 | |
| Methyl Isobutyl Ketone SCHEMBL5000849 | 0.85 | ALDH1A1 (0.74) | ALDH1A1TDP1KMT2ACES2CES1 | |
| Methyl Isobutyl Ketone SCHEMBL2340589 | 0.85 | ALDH1A1 (0.74) | ALDH1A1TDP1KMT2ACES2CES1 | |
| Methyl Isobutyl Ketone SCHEMBL28071916 | 0.85 | ALDH1A1 (0.54) | ALDH1A1TDP1KMT2ACES2CES1 | |
| Dodecanoate SCHEMBL27819984 | 0.85 | GPR84 (0.65) | ALDH1A1TDP1KMT2AMAPTLMNA |
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 |
|---|---|---|---|---|---|---|---|
| CN-107567477-A | Pull tab for food and/or beverage can | PPG工业俄亥俄公司 | 2018-01-09 | — | — | CN | disclosed |