Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CES1 | P23141 | 3/20 | 0.41 |
| ▸ | CES2 | O00748 | 2/20 | 0.41 |
| ▸ | AKR1B1 | P15121 | 1/20 | 0.41 |
| ▸ | TSHR | P16473 | 3/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.41 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.41 |
| ▸ | FNTA | P49354 | 1/20 | 0.39 |
| ▸ | FNTB | P49356 | 1/20 | 0.39 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.38 |
| ▸ | ABCC4 | O15439 | 1/20 | 0.36 |
| ▸ | LMNA | P02545 | 1/20 | 0.36 |
| ▸ | GAA | P10253 | 1/20 | 0.36 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.36 |
| ▸ | HTT | P42858 | 1/20 | 0.36 |
| ▸ | MEN1 | O00255 | 1/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.36 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.36 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.36 |
| ▸ | L3MBTL1 | Q9Y468 | 4/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL11200644 | 1.00 | CES1 (0.41) | CES1CES2AKR1B1TSHRALDH1A1 | |
| SCHEMBL11054115 | 0.81 | CES1 (0.43) | CES1CES2AKR1B1TSHRALDH1A1 | |
| SCHEMBL11403703 | 0.81 | CES1 (0.43) | CES1CES2AKR1B1TSHRALDH1A1 | |
| SCHEMBL11054117 | 0.81 | CES1 (0.43) | CES1CES2AKR1B1TSHRALDH1A1 | |
| SCHEMBL5002822 | 0.79 | CES2 (0.41) | CES1CES2AKR1B1TSHRALDH1A1 | |
| SCHEMBL27913022 | 0.78 | CES1 (0.44) | CES1CES2AKR1B1TSHRALDH1A1 | |
| SCHEMBL11423375 | 0.76 | CES2 (0.46) | CES1CES2AKR1B1TSHRALDH1A1 | |
| SCHEMBL28806825 | 0.75 | CES1 (0.41) | CES1CES2AKR1B1TSHRALDH1A1 | |
| SCHEMBL10454431 | 0.74 | CES1 (0.50) | CES1CES2AKR1B1TSHRALDH1A1 | |
| SCHEMBL10454432 | 0.74 | CES1 (0.50) | CES1CES2AKR1B1TSHRALDH1A1 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-4411912-A | Insecticidal isovaleric acid esters | ZOECON CORPORATION (US) | 1983-10-25 | — | — | US | disclosed |
| US-4243819-A | Substituted amino acids | ZOECON CORPORATION (US) | 1981-01-06 | — | — | US | disclosed |