Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 4/20 | 0.38 |
| ▸ | ABCB11 | O95342 | 1/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.36 |
| ▸ | ADRA2B | P18089 | 1/20 | 0.36 |
| ▸ | OPRD1 | P41143 | 1/20 | 0.36 |
| ▸ | SCN5A | Q14524 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.35 |
| ▸ | TP53 | P04637 | 2/20 | 0.35 |
| ▸ | HIF1A | Q16665 | 2/20 | 0.35 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.35 |
| ▸ | CA2 | P00918 | 2/20 | 0.34 |
| ▸ | CA12 | O43570 | 1/20 | 0.34 |
| ▸ | CA1 | P00915 | 1/20 | 0.34 |
| ▸ | CA9 | Q16790 | 1/20 | 0.34 |
| ▸ | THRB | P10828 | 1/20 | 0.31 |
| ▸ | MEN1 | O00255 | 1/20 | 0.31 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.31 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL10977023 | 0.85 | TSHR (0.37) | TSHRABCB11CYP3A4ADRA2BOPRD1 | |
| SCHEMBL11892079 | 0.80 | TSHR (0.39) | TSHRABCB11CYP3A4ADRA2BOPRD1 | |
| SCHEMBL863123 | 0.80 | TSHR (0.39) | TSHRABCB11CYP3A4ADRA2BOPRD1 | |
| SCHEMBL863284 | 0.80 | TSHR (0.39) | TSHRABCB11CYP3A4ADRA2BOPRD1 | |
| SCHEMBL12440657 | 0.80 | TSHR (0.39) | TSHRABCB11CYP3A4ADRA2BOPRD1 | |
| SCHEMBL13419853 | 0.78 | MEN1 (0.44) | TSHRABCB11CYP3A4ADRA2BOPRD1 | |
| Acetone SCHEMBL11555965 | 0.78 | CA2 (0.41) | TSHRABCB11CYP3A4ADRA2BOPRD1 | |
| SCHEMBL9764293 | 0.77 | TSHR (0.41) | TSHRALDH1A1CA2CA12CA1 | |
| SCHEMBL1469916 | 0.77 | TSHR (0.41) | TSHRABCB11CYP3A4ADRA2BOPRD1 | |
| SCHEMBL1128349 | 0.77 | TSHR (0.41) | TSHRABCB11CYP3A4ADRA2BOPRD1 |
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-0695287-B1 | FULLERENE DERIVATIVES, METHODS OF PREPARING THEM AND THEIR USE | HOECHST AG (DE) | 1997-10-29 | — | — | EP | disclosed |
| EP-0695287-A1 | FULLERENE DERIVATIVES, METHODS OF PREPARING THEM AND THEIR USE | HOECHST AG (DE) | 1996-02-07 | — | — | EP | disclosed |
| WO-1994025424-A1 | FULLERENE DERIVATIVES, METHODS OF PREPARING THEM AND THEIR USE | HOECHST AKTIENGESELLSCHAFT (DE) | 1994-11-10 | — | — | WO | disclosed |