Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 8/20 | 0.78 |
| ▸ | TSHR | P16473 | 7/20 | 0.78 |
| ▸ | MAPK1 | P28482 | 4/20 | 0.78 |
| ▸ | TDP1 | Q9NUW8 | 3/20 | 0.78 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.78 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.78 |
| ▸ | TP53 | P04637 | 1/20 | 0.55 |
| ▸ | LMNA | P02545 | 5/20 | 0.54 |
| ▸ | ESR1 | P03372 | 3/20 | 0.54 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.54 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.54 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.54 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.54 |
| ▸ | NR1H2 | P55055 | 1/20 | 0.54 |
| ▸ | RNASEL | Q05823 | 1/20 | 0.54 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.51 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.51 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.51 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.50 |
| ▸ | RAB9A | P51151 | 3/20 | 0.49 |
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 | |
|---|---|---|---|---|
| SCHEMBL4885685 | 1.00 | ALDH1A1 (0.78) | ALDH1A1TSHRMAPK1TDP1CYP3A4 | |
| SCHEMBL4885717 | 1.00 | ALDH1A1 (0.78) | ALDH1A1TSHRMAPK1TDP1CYP3A4 | |
| SCHEMBL4894199 | 1.00 | ALDH1A1 (0.78) | ALDH1A1TSHRMAPK1TDP1CYP3A4 | |
| Dibutyl Phthalate SCHEMBL21830401 | 0.88 | ALDH1A1 (0.89) | ALDH1A1TSHRMAPK1TDP1CYP3A4 | |
| Benzyl Benzoate SCHEMBL7565651 | 0.88 | ALDH1A1 (0.89) | ALDH1A1TSHRMAPK1TDP1CYP3A4 | |
| SCHEMBL49678 | 0.88 | TSHR (1.00) | ALDH1A1TSHRMAPK1TDP1CYP3A4 | |
| Dibutyl Phthalate SCHEMBL10408632 | 0.88 | TSHR (1.00) | ALDH1A1TSHRMAPK1TDP1CYP3A4 | |
| SCHEMBL29507351 | 0.88 | TSHR (1.00) | ALDH1A1TSHRMAPK1TDP1CYP3A4 | |
| SCHEMBL6278559 | 0.88 | TSHR (1.00) | ALDH1A1TSHRMAPK1TDP1CYP3A4 | |
| SCHEMBL11416620 | 0.88 | TSHR (0.78) | ALDH1A1TSHRMAPK1TDP1CYP3A4 |
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-20080306190-A1 | Composition of matter based on alkyl benzyl esters | LANXESS DEUTSCHLAND GMBH (DE) | 2008-12-11 | — | — | US | disclosed |
| US-20080004387-A1 | Alkyl benzyl esters of polycarboxylic acids | LANXESS DEUTSCHLAND GMBH (DE) | 2008-01-03 | — | — | US | disclosed |