Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 3/20 | 0.38 |
| ▸ | FYN | P06241 | 2/20 | 0.38 |
| ▸ | ACHE | P22303 | 2/20 | 0.38 |
| ▸ | AHR | P35869 | 2/20 | 0.38 |
| ▸ | ERBB2 | P04626 | 1/20 | 0.38 |
| ▸ | MAOA | P21397 | 1/20 | 0.38 |
| ▸ | HSD17B10 | Q99714 | 4/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.37 |
| ▸ | TSHR | P16473 | 2/20 | 0.37 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.37 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.37 |
| ▸ | HIF1A | Q16665 | 2/20 | 0.36 |
| ▸ | HPGD | P15428 | 2/20 | 0.36 |
| ▸ | CYP1B1 | Q16678 | 1/20 | 0.36 |
| ▸ | THRB | P10828 | 1/20 | 0.36 |
| ▸ | CA1 | P00915 | 1/20 | 0.36 |
| ▸ | CA2 | P00918 | 1/20 | 0.36 |
| ▸ | HPRT1 | P00492 | 1/20 | 0.34 |
| ▸ | MAPT | P10636 | 2/20 | 0.34 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL29587289 | 0.82 | GPR84 (0.47) | CYP1A2FYNACHEAHRERBB2 | |
| SCHEMBL2976968 | 0.82 | GPR84 (0.47) | CYP1A2FYNACHEAHRERBB2 | |
| SCHEMBL29226974 | 0.81 | CYP1A2 (0.47) | CYP1A2FYNACHEAHRERBB2 | |
| SCHEMBL6851542 | 0.79 | ALDH1A1 (0.43) | CYP1A2FYNACHEAHRERBB2 | |
| SCHEMBL28571425 | 0.77 | MAPT (0.55) | CYP1A2FYNACHEAHRERBB2 | |
| SCHEMBL30260278 | 0.77 | MAPT (0.55) | CYP1A2FYNACHEAHRERBB2 | |
| SCHEMBL9611881 | 0.76 | CYP1A2 (0.38) | CYP1A2FYNACHEAHRERBB2 | |
| SCHEMBL30960875 | 0.75 | HPRT1 (0.52) | CYP1A2HSD17B10ALDH1A1TSHRCYP2A6 | |
| SCHEMBL7611626 | 0.75 | HPRT1 (0.52) | CYP1A2HSD17B10ALDH1A1TSHRCYP2A6 | |
| SCHEMBL1375269 | 0.74 | HSD17B10 (0.42) | CYP1A2FYNACHEAHRERBB2 |
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-114656481-A | Organic material and application thereof | 北京燕化集联光电技术有限公司 | 2022-06-24 | — | — | CN | disclosed |