Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 3/20 | 0.37 |
| ▸ | ERBB2 | P04626 | 1/20 | 0.37 |
| ▸ | FYN | P06241 | 1/20 | 0.37 |
| ▸ | MAOA | P21397 | 1/20 | 0.37 |
| ▸ | ACHE | P22303 | 1/20 | 0.37 |
| ▸ | AHR | P35869 | 1/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.35 |
| ▸ | HPGD | P15428 | 3/20 | 0.35 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.35 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.35 |
| ▸ | TSHR | P16473 | 2/20 | 0.35 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.35 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.35 |
| ▸ | CYP1A1 | P04798 | 1/20 | 0.32 |
| ▸ | CYP1B1 | Q16678 | 1/20 | 0.32 |
| ▸ | THRB | P10828 | 1/20 | 0.32 |
| ▸ | STAT3 | P40763 | 1/20 | 0.31 |
| ▸ | STAT1 | P42224 | 1/20 | 0.31 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.31 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| Pyrene SCHEMBL223706 | 0.86 | ALDH1A1 (0.44) | CYP1A2ERBB2FYNMAOAACHE | |
| Pyrene SCHEMBL27924575 | 0.84 | CYP1A2 (0.42) | CYP1A2ERBB2FYNMAOAACHE | |
| SCHEMBL3116089 | 0.79 | CYP1A2 (0.39) | CYP1A2ERBB2FYNMAOAACHE | |
| SCHEMBL226506 | 0.79 | STAT3 (0.35) | CYP1A2ERBB2FYNMAOAACHE | |
| SCHEMBL430371 | 0.78 | STAT3 (0.34) | CYP1A2ERBB2FYNMAOAACHE | |
| SCHEMBL27629845 | 0.78 | CYP1A2 (0.38) | CYP1A2ERBB2FYNMAOAACHE | |
| SCHEMBL9718813 | 0.75 | STAT3 (0.41) | STAT3STAT1 | |
| Chrysene SCHEMBL28307791 | 0.74 | HPRT1 (0.50) | CYP1A2ERBB2FYNMAOAACHE | |
| Phenanthrene SCHEMBL28319018 | 0.74 | ALDH1A1 (0.46) | CYP1A2ALDH1A1HPGDHSD17B10CYP3A4 | |
| Naphthalene SCHEMBL1608581 | 0.73 | STAT3 (0.45) | CYP1A2ACHEALDH1A1HPGDHSD17B10 |
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 |
|---|---|---|---|---|---|---|---|
| CN-109828002-B | Nitrogen dioxide gas sensitive material based on tetrapyryl porphyrin cobalt aggregate | 中国石油大学(华东) | 2021-08-10 | — | — | CN | disclosed |
| CN-109828002-B | Nitrogen dioxide gas sensitive material based on tetrapyryl porphyrin cobalt aggregate | 中国石油大学(华东) | 2021-08-10 | — | — | CN | disclosed |
| CN-111943809-A | Method for oxidizing cycloparaffin through synergistic catalysis of limited-domain metalloporphyrin cobalt (II)/Zn (II) salt | 浙江工业大学 | 2020-11-17 | — | — | CN | disclosed |