Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 3/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.38 |
| ▸ | HPGD | P15428 | 3/20 | 0.38 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.38 |
| ▸ | THRB | P10828 | 1/20 | 0.38 |
| ▸ | STAT3 | P40763 | 1/20 | 0.36 |
| ▸ | STAT1 | P42224 | 1/20 | 0.36 |
| ▸ | ERBB2 | P04626 | 1/20 | 0.35 |
| ▸ | FYN | P06241 | 1/20 | 0.35 |
| ▸ | MAOA | P21397 | 1/20 | 0.35 |
| ▸ | ACHE | P22303 | 1/20 | 0.35 |
| ▸ | AHR | P35869 | 1/20 | 0.35 |
| ▸ | TSHR | P16473 | 2/20 | 0.32 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.32 |
| ▸ | CASP1 | P29466 | 1/20 | 0.32 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.32 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.32 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.31 |
| ▸ | DHFR | P00374 | 1/20 | 0.31 |
| ▸ | CYP1A1 | P04798 | 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 | |
|---|---|---|---|---|
| SCHEMBL3116089 | 0.98 | CYP1A2 (0.39) | CYP1A2ALDH1A1HPGDHSD17B10THRB | |
| Pyrene SCHEMBL27924575 | 0.89 | CYP1A2 (0.42) | CYP1A2ALDH1A1HPGDHSD17B10THRB | |
| Pyrene SCHEMBL223706 | 0.87 | ALDH1A1 (0.44) | CYP1A2ALDH1A1HPGDHSD17B10THRB | |
| SCHEMBL27632584 | 0.86 | ALDH1A1 (0.36) | CYP1A2ALDH1A1HPGDHSD17B10THRB | |
| SCHEMBL11896250 | 0.85 | STAT3 (0.32) | STAT3STAT1 | |
| Triphenylene SCHEMBL28084435 | 0.83 | STAT3 (0.44) | CYP1A2ALDH1A1HPGDHSD17B10STAT3 | |
| SCHEMBL9718813 | 0.82 | STAT3 (0.41) | STAT3STAT1 | |
| SCHEMBL28973498 | 0.82 | STAT3 (0.41) | STAT3STAT1 | |
| SCHEMBL78009 | 0.82 | STAT3 (0.41) | STAT3STAT1 | |
| SCHEMBL6034867 | 0.82 | STAT3 (0.41) | STAT3STAT1 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-100424084-C | (Zinc) porphyrin - perylene diimide ( PDI) - C60 ternary system and its synthesis method | CHINESE ACAD INST CHEMISTRY (CN) | 2008-10-08 | — | — | CN | disclosed |
| CN-1704415-A | (Zinc) porphyrin - perylene diimide ( PDI) - C60 ternary system and its synthesis method | CHINESE ACAD INST CHEMISTRY (CN) | 2005-12-07 | — | — | CN | disclosed |