Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TDP1 | Q9NUW8 | 5/20 | 0.54 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.54 |
| ▸ | L3MBTL1 | Q9Y468 | 5/20 | 0.54 |
| ▸ | TSHR | P16473 | 4/20 | 0.54 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.54 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.54 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.44 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.44 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.44 |
| ▸ | LMNA | P02545 | 1/20 | 0.42 |
| ▸ | RAB9A | P51151 | 4/20 | 0.41 |
| ▸ | NPC1 | O15118 | 1/20 | 0.41 |
| ▸ | MEN1 | O00255 | 1/20 | 0.41 |
| ▸ | HPGD | P15428 | 2/20 | 0.40 |
| ▸ | MAPT | P10636 | 1/20 | 0.40 |
| ▸ | GAA | P10253 | 1/20 | 0.40 |
| ▸ | PTGER1 | P34995 | 1/20 | 0.39 |
| ▸ | PTGER4 | P35408 | 1/20 | 0.39 |
| ▸ | PTGER3 | P43115 | 1/20 | 0.39 |
| ▸ | PTGER2 | P43116 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL3203136 | 0.83 | TSHR (0.63) | TDP1ALDH1A1L3MBTL1TSHRCYP3A4 | |
| SCHEMBL7736627 | 0.82 | ALDH1A1 (0.53) | TDP1ALDH1A1L3MBTL1TSHRCYP3A4 | |
| SCHEMBL27788499 | 0.81 | TDP1 (0.58) | TDP1ALDH1A1L3MBTL1TSHRCYP3A4 | |
| SCHEMBL4894208 | 0.81 | TSHR (0.54) | TDP1ALDH1A1L3MBTL1TSHRCYP3A4 | |
| SCHEMBL1232508 | 0.79 | ALDH1A1 (0.69) | TDP1ALDH1A1L3MBTL1TSHRCYP3A4 | |
| SCHEMBL317668 | 0.79 | TSHR (0.50) | ALDH1A1TSHRCYP3A4MAPK1LMNA | |
| SCHEMBL316164 | 0.79 | TSHR (0.50) | ALDH1A1TSHRCYP3A4MAPK1LMNA | |
| SCHEMBL3851805 | 0.79 | TSHR (0.50) | ALDH1A1TSHRCYP3A4MAPK1LMNA | |
| SCHEMBL17817820 | 0.79 | TSHR (0.50) | ALDH1A1TSHRCYP3A4MAPK1LMNA | |
| SCHEMBL3203139 | 0.79 | TDP1 (0.61) | TDP1ALDH1A1L3MBTL1TSHRCYP3A4 |
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 3 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 | claimed |
| US-20080004387-A1 | Alkyl benzyl esters of polycarboxylic acids | LANXESS DEUTSCHLAND GMBH (DE) | 2008-01-03 | — | — | US | claimed |
| US-20080004387-A1 | Alkyl benzyl esters of polycarboxylic acids | LANXESS DEUTSCHLAND GMBH (DE) | 2008-01-03 | — | — | US | disclosed |