Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NAAA | Q02083 | 1/20 | 0.37 |
| ▸ | CES2 | O00748 | 5/20 | 0.36 |
| ▸ | CES1 | P23141 | 5/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.36 |
| ▸ | AKR1B1 | P15121 | 1/20 | 0.33 |
| ▸ | TP53 | P04637 | 1/20 | 0.33 |
| ▸ | ATM | Q13315 | 1/20 | 0.33 |
| ▸ | DGKA | P23743 | 1/20 | 0.32 |
| ▸ | PPARG | P37231 | 4/20 | 0.32 |
| ▸ | PPARD | Q03181 | 4/20 | 0.32 |
| ▸ | PPARA | Q07869 | 4/20 | 0.32 |
| ▸ | TSHR | P16473 | 3/20 | 0.32 |
| ▸ | GPR84 | Q9NQS5 | 3/20 | 0.32 |
| ▸ | HDAC11 | Q96DB2 | 3/20 | 0.32 |
| ▸ | MEN1 | O00255 | 2/20 | 0.32 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.32 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.32 |
| ▸ | SLC22A6 | Q4U2R8 | 1/20 | 0.32 |
| ▸ | SLC22A8 | Q8TCC7 | 1/20 | 0.32 |
| ▸ | TLR2 | O60603 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL17846621 | 0.81 | ALDH1A1 (0.40) | NAAACES2CES1ALDH1A1ATM | |
| SCHEMBL29229151 | 0.77 | CES2 (0.38) | NAAACES2CES1ALDH1A1AKR1B1 | |
| SCHEMBL5132104 | 0.76 | CES1 (0.41) | CES2CES1ALDH1A1AKR1B1TP53 | |
| SCHEMBL18421166 | 0.74 | CES1 (0.40) | CES2CES1ALDH1A1AKR1B1TP53 | |
| SCHEMBL727984 | 0.74 | AKR1B1 (0.42) | CES2CES1ALDH1A1AKR1B1PPARG | |
| SCHEMBL7219686 | 0.72 | CA1 (0.38) | CES2CES1ALDH1A1AKR1B1TP53 | |
| SCHEMBL4333058 | 0.70 | ALDH1A1 (0.31) | ALDH1A1TSHR | |
| SCHEMBL28559823 | 0.70 | CES1 (0.42) | CES2CES1ALDH1A1AKR1B1TP53 | |
| SCHEMBL8002430 | 0.70 | AKR1B1 (0.39) | CES2CES1ALDH1A1AKR1B1PPARG | |
| SCHEMBL11856586 | 0.70 | AKR1B1 (0.39) | CES2CES1ALDH1A1AKR1B1PPARG |
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-6180807-B1 | SILYLATING AGENT AND ORGANYLATING FOR | AVENTIS RESEARCH & TECHNOLOGIES GMBH & CO. KG (DE) | 2001-01-30 | — | — | US | disclosed |