Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 3/20 | 0.50 |
| ▸ | CA1 | P00915 | 1/20 | 0.50 |
| ▸ | CA2 | P00918 | 1/20 | 0.50 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.49 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.47 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.47 |
| ▸ | DHFR | P00374 | 1/20 | 0.46 |
| ▸ | MCL1 | Q07820 | 1/20 | 0.44 |
| ▸ | ALOX15 | P16050 | 6/20 | 0.43 |
| ▸ | HTR1A | P08908 | 1/20 | 0.42 |
| ▸ | DRD2 | P14416 | 1/20 | 0.42 |
| ▸ | HTR7 | P34969 | 1/20 | 0.42 |
| ▸ | USP8 | P40818 | 1/20 | 0.41 |
| ▸ | HSD17B10 | Q99714 | 4/20 | 0.40 |
| ▸ | HPGD | P15428 | 3/20 | 0.40 |
| ▸ | GAA | P10253 | 3/20 | 0.40 |
| ▸ | ALOX12 | P18054 | 3/20 | 0.40 |
| ▸ | CASP1 | P29466 | 3/20 | 0.40 |
| ▸ | CASP7 | P55210 | 3/20 | 0.40 |
| ▸ | MEN1 | O00255 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL2186547 | 0.84 | TSHR (0.59) | TSHRKDM4EHTR1ADRD2HTR7 | |
| SCHEMBL29801671 | 0.82 | CYP2A6 (0.62) | TSHRCA1CA2KDM4EALDH1A1 | |
| SCHEMBL1132842 | 0.82 | CYP2A6 (0.62) | TSHRCA1CA2KDM4EALDH1A1 | |
| SCHEMBL29039496 | 0.81 | CA1 (0.50) | TSHRCA1CA2KDM4EALDH1A1 | |
| SCHEMBL13170778 | 0.81 | CA1 (0.55) | TSHRCA1CA2KDM4EALDH1A1 | |
| SCHEMBL15853143 | 0.80 | CA1 (0.46) | TSHRCA1CA2KDM4EALDH1A1 | |
| SCHEMBL28858358 | 0.79 | TSHR (0.53) | TSHRALDH1A1HTR1ADRD2HTR7 | |
| SCHEMBL15856556 | 0.79 | CA1 (0.53) | TSHRCA1CA2KDM4EALDH1A1 | |
| SCHEMBL21298262 | 0.78 | MCL1 (0.47) | TSHRCA1CA2KDM4EALDH1A1 | |
| SCHEMBL1132593 | 0.78 | TSHR (0.61) | TSHRKDM4EALDH1A1HTR1ADRD2 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20140183468-A1 | PYRENE-BASED COMPOUND AND ORGANIC LIGHT-EMITTING DIODE COMPRISING THE SAME | SAMSUNG DISPLAY CO., LTD. (KR) | 2014-07-03 | — | — | US | disclosed |