Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 1/20 | 0.45 |
| ▸ | POLB | P06746 | 2/20 | 0.40 |
| ▸ | CNR2 | P34972 | 1/20 | 0.37 |
| ▸ | BDKRB2 | P30411 | 1/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.36 |
| ▸ | CA2 | P00918 | 1/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.36 |
| ▸ | CYSLTR2 | Q9NS75 | 1/20 | 0.36 |
| ▸ | CYSLTR1 | Q9Y271 | 1/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.35 |
| ▸ | SOAT1 | P35610 | 1/20 | 0.35 |
| ▸ | GABRA1 | P14867 | 1/20 | 0.34 |
| ▸ | GABRB2 | P47870 | 1/20 | 0.34 |
| ▸ | MAPT | P10636 | 2/20 | 0.34 |
| ▸ | GBA1 | P04062 | 1/20 | 0.34 |
| ▸ | MEN1 | O00255 | 1/20 | 0.33 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL6686891 | 0.94 | TSHR (0.41) | TSHRPOLBCA2CYP3A4SOAT1 | |
| SCHEMBL6678854 | 0.93 | TSHR (0.43) | TSHRCNR2ALDH1A1CYSLTR2CYSLTR1 | |
| SCHEMBL6684349 | 0.91 | CSNK1E (0.42) | TSHRCNR2ALDH1A1CYSLTR2CYSLTR1 | |
| SCHEMBL15105377 | 0.89 | TSHR (0.41) | TSHRPOLBCNR2BDKRB2SMN1; SMN2 | |
| SCHEMBL6683709 | 0.87 | ESR1 (0.42) | TSHRPOLBCNR2CYSLTR2CYSLTR1 | |
| SCHEMBL2697041 | 0.87 | TSHR (0.39) | TSHRPOLBCNR2SMN1; SMN2ALDH1A1 | |
| SCHEMBL6686613 | 0.87 | SOAT1 (0.41) | TSHRALDH1A1SOAT1GABRA1GABRB2 | |
| SCHEMBL9229150 | 0.86 | TSHR (0.38) | TSHRPOLBBDKRB2SMN1; SMN2ALDH1A1 | |
| SCHEMBL6682981 | 0.86 | ADRB2 (0.42) | TSHRPOLBALDH1A1CYP3A4KDM4E | |
| SCHEMBL9284668 | 0.86 | ADRB2 (0.42) | TSHRPOLBALDH1A1CYP3A4KDM4E |
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 |
|---|---|---|---|---|---|---|---|
| EP-0985649-B1 | Method for producing an aromatic compound having an alkyl group with at least three carbon atoms | TORAY INDUSTRIES (JP) | 2004-11-24 | — | — | EP | disclosed |
| US-6462248-B1 | THROUGH CONVERSION, ISOMERIZATION AND/OR ADSORPTIVE SEPARATION OF AROMATIC COMPOUNDS | TORAY INDUSTRIES, INC. (JP) | 2002-10-08 | — | — | US | disclosed |
| EP-0985649-A2 | Method for producing an aromatic compound having an alkyl group with at least three carbon atoms | TORAY INDUSTRIES, INC. (JP) | 2000-03-15 | — | — | EP | disclosed |