Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 8/20 | 0.55 |
| ▸ | TSHR | P16473 | 6/20 | 0.55 |
| ▸ | L3MBTL1 | Q9Y468 | 3/20 | 0.55 |
| ▸ | MAPK1 | P28482 | 3/20 | 0.55 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.55 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.55 |
| ▸ | TP53 | P04637 | 1/20 | 0.49 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.48 |
| ▸ | LMNA | P02545 | 3/20 | 0.48 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.44 |
| ▸ | POLB | P06746 | 1/20 | 0.43 |
| ▸ | TRPA1 | O75762 | 2/20 | 0.41 |
| ▸ | MAPT | P10636 | 1/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.41 |
| ▸ | MEN1 | O00255 | 1/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.40 |
| ▸ | CNR2 | P34972 | 1/20 | 0.40 |
| ▸ | SCN1A | P35498 | 1/20 | 0.40 |
| ▸ | SCN2A | Q99250 | 1/20 | 0.40 |
| ▸ | SCN3A | Q9NY46 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL4949933 | 0.81 | ALDH1A1 (0.59) | ALDH1A1TSHRL3MBTL1MAPK1TDP1 | |
| SCHEMBL4885723 | 0.78 | TSHR (0.55) | ALDH1A1TSHRL3MBTL1MAPK1TDP1 | |
| SCHEMBL1133976 | 0.78 | ALDH1A1 (0.61) | ALDH1A1TSHRL3MBTL1MAPK1TDP1 | |
| SCHEMBL30040648 | 0.77 | ALDH1A1 (0.64) | ALDH1A1TSHRL3MBTL1MAPK1TDP1 | |
| SCHEMBL4894208 | 0.77 | TSHR (0.54) | ALDH1A1TSHRL3MBTL1MAPK1TDP1 | |
| SCHEMBL316706 | 0.76 | TSHR (0.51) | ALDH1A1TSHRL3MBTL1MAPK1TDP1 | |
| SCHEMBL316148 | 0.76 | TSHR (0.51) | ALDH1A1TSHRL3MBTL1MAPK1TDP1 | |
| Benzene SCHEMBL3679548 | 0.75 | TSHR (0.86) | ALDH1A1TSHRL3MBTL1MAPK1TDP1 | |
| Dibutyl Phthalate SCHEMBL2220638 | 0.75 | TSHR (0.86) | ALDH1A1TSHRL3MBTL1MAPK1TDP1 | |
| SCHEMBL29649180 | 0.75 | TSHR (0.86) | ALDH1A1TSHRL3MBTL1MAPK1TDP1 |
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 |