Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 8/20 | 0.64 |
| ▸ | HSD17B10 | Q99714 | 8/20 | 0.64 |
| ▸ | HPGD | P15428 | 7/20 | 0.64 |
| ▸ | CYP1A2 | P05177 | 4/20 | 0.64 |
| ▸ | THRB | P10828 | 1/20 | 0.64 |
| ▸ | TSHR | P16473 | 6/20 | 0.56 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.56 |
| ▸ | MAOA | P21397 | 2/20 | 0.47 |
| ▸ | ERBB2 | P04626 | 1/20 | 0.47 |
| ▸ | FYN | P06241 | 1/20 | 0.47 |
| ▸ | ACHE | P22303 | 1/20 | 0.47 |
| ▸ | AHR | P35869 | 1/20 | 0.47 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.46 |
| ▸ | MAPK1 | P28482 | 4/20 | 0.43 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.43 |
| ▸ | ATM | Q13315 | 1/20 | 0.43 |
| ▸ | CASP1 | P29466 | 2/20 | 0.42 |
| ▸ | HIF1A | Q16665 | 2/20 | 0.42 |
| ▸ | NPC1 | O15118 | 2/20 | 0.41 |
| ▸ | MAPT | P10636 | 2/20 | 0.41 |
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 | |
|---|---|---|---|---|
| Fluorene SCHEMBL7752293 | 0.92 | TSHR (0.54) | ALDH1A1HSD17B10HPGDCYP1A2THRB | |
| Fluorene SCHEMBL28556215 | 0.92 | TSHR (0.54) | ALDH1A1HSD17B10HPGDCYP1A2THRB | |
| Pyrene SCHEMBL5793586 | 0.88 | TSHR (0.56) | ALDH1A1HSD17B10HPGDCYP1A2THRB | |
| Pyrene SCHEMBL2125072 | 0.87 | TSHR (0.65) | ALDH1A1HSD17B10HPGDCYP1A2THRB | |
| Phenanthrene SCHEMBL21219119 | 0.83 | TSHR (0.57) | ALDH1A1HSD17B10HPGDCYP1A2TSHR | |
| Fluorene SCHEMBL28064647 | 0.83 | TSHR (0.56) | ALDH1A1HSD17B10HPGDCYP1A2TSHR | |
| Triphenylene SCHEMBL21360057 | 0.82 | MAOA (0.59) | ALDH1A1HSD17B10HPGDCYP1A2TSHR | |
| SCHEMBL29016819 | 0.81 | ALDH1A1 (0.46) | ALDH1A1HSD17B10HPGDCYP1A2THRB | |
| Fluorene SCHEMBL28714196 | 0.81 | MAOA (0.48) | ALDH1A1HSD17B10HPGDTSHRCYP3A4 | |
| SCHEMBL3766146 | 0.81 | TSHR (0.62) | ALDH1A1HSD17B10HPGDCYP1A2TSHR |
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 |
|---|---|---|---|---|---|---|---|
| CN-105829454-A | Dye compounds | 默克专利股份有限公司 | 2016-08-03 | — | — | CN | disclosed |