Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 3/20 | 0.40 |
| ▸ | ERBB2 | P04626 | 1/20 | 0.40 |
| ▸ | FYN | P06241 | 1/20 | 0.40 |
| ▸ | MAOA | P21397 | 1/20 | 0.40 |
| ▸ | ACHE | P22303 | 1/20 | 0.40 |
| ▸ | AHR | P35869 | 1/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 8/20 | 0.38 |
| ▸ | HPGD | P15428 | 4/20 | 0.38 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.38 |
| ▸ | THRB | P10828 | 1/20 | 0.38 |
| ▸ | TSHR | P16473 | 3/20 | 0.38 |
| ▸ | TDP1 | Q9NUW8 | 3/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.38 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.38 |
| ▸ | HTT | P42858 | 3/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.36 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.36 |
| ▸ | TNF | P01375 | 1/20 | 0.36 |
| ▸ | MAPT | P10636 | 1/20 | 0.36 |
| ▸ | NOD2 | Q9HC29 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL9646346 | 0.80 | ALDH1A1 (0.47) | CYP1A2ALDH1A1HPGDTSHRL3MBTL1 | |
| SCHEMBL28311035 | 0.75 | CYP1A2 (0.43) | CYP1A2ERBB2FYNMAOAACHE | |
| SCHEMBL2313023 | 0.72 | CYP1A2 (0.41) | CYP1A2ERBB2FYNMAOAACHE | |
| SCHEMBL11809751 | 0.72 | ALDH1A1 (0.46) | CYP1A2ACHEALDH1A1HPGDTDP1 | |
| SCHEMBL28311031 | 0.71 | ALDH1A1 (0.42) | CYP1A2ERBB2FYNMAOAACHE | |
| SCHEMBL181005 | 0.70 | TSHR (0.56) | ALDH1A1HPGDTSHRTDP1L3MBTL1 | |
| SCHEMBL15853589 | 0.68 | ADORA2A (0.41) | CYP1A2ERBB2FYNMAOAACHE | |
| SCHEMBL22127001 | 0.68 | CYP1A2 (0.43) | CYP1A2ERBB2FYNMAOAACHE | |
| SCHEMBL29031364 | 0.68 | ALDH1A1 (0.43) | CYP1A2ALDH1A1HPGDTDP1L3MBTL1 | |
| SCHEMBL6307398 | 0.68 | TSHR (0.54) | ALDH1A1HPGDTSHRTDP1L3MBTL1 |
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-112961098-A | Organic fluorescent material containing pyrene unit and having aggregation induced luminescence, and preparation method and application thereof | 广东工业大学 | 2021-06-15 | — | — | CN | claimed |
| CN-112961098-B | Organic fluorescent material containing pyrene unit and having aggregation induced luminescence, and preparation method and application thereof | 广东工业大学 | 2023-01-20 | — | — | CN | disclosed |
| CN-112961098-A | Organic fluorescent material containing pyrene unit and having aggregation induced luminescence, and preparation method and application thereof | 广东工业大学 | 2021-06-15 | — | — | CN | disclosed |