Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 1/20 | 0.43 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.43 |
| ▸ | LTA4H | P09960 | 2/20 | 0.36 |
| ▸ | ESR1 | P03372 | 2/20 | 0.35 |
| ▸ | ESR2 | Q92731 | 2/20 | 0.35 |
| ▸ | CA4 | P22748 | 1/20 | 0.31 |
| ▸ | CHRNB2 | P17787 | 1/20 | 0.30 |
| ▸ | CHRNB4 | P30926 | 1/20 | 0.30 |
| ▸ | CHRNA3 | P32297 | 1/20 | 0.30 |
| ▸ | CHRNA7 | P36544 | 1/20 | 0.30 |
| ▸ | CHRNA4 | P43681 | 1/20 | 0.30 |
| ▸ | RELA | Q04206 | 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 | |
|---|---|---|---|---|
| SCHEMBL11675392 | 0.89 | LTA4H (0.41) | LTA4HCA4CHRNB2CHRNB4CHRNA3 | |
| SCHEMBL8845876 | 0.89 | CYP3A4 (0.55) | CYP3A4TDP1LTA4HESR1ESR2 | |
| SCHEMBL443626 | 0.85 | LTA4H (0.43) | LTA4HCA4CHRNB2CHRNB4CHRNA3 | |
| SCHEMBL385592 | 0.85 | LTA4H (0.43) | LTA4HCA4CHRNB2CHRNB4CHRNA3 | |
| SCHEMBL27568292 | 0.84 | CYP3A4 (0.60) | CYP3A4TDP1LTA4HESR1ESR2 | |
| Carbon Monoxide SCHEMBL11756856 | 0.84 | LTA4H (0.37) | TDP1LTA4HCA4CHRNB2CHRNB4 | |
| SCHEMBL11557684 | 0.83 | LTA4H (0.42) | LTA4HCA4CHRNB2CHRNB4CHRNA3 | |
| SCHEMBL20710810 | 0.80 | LTA4H (0.41) | LTA4HRELA | |
| SCHEMBL10497426 | 0.79 | LTA4H (0.39) | LTA4HCA4CHRNB2CHRNB4CHRNA3 | |
| Carbon Monoxide SCHEMBL11756784 | 0.77 | CYP3A4 (0.50) | CYP3A4TDP1LTA4HESR1ESR2 |
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-112979412-B | Preparation method of 7-bromo-1-chloronaphthalene | 江苏丽源医药有限公司 | 2022-06-14 | — | — | CN | disclosed |
| CN-112979412-A | Preparation method of 7-bromo-1-chloronaphthalene | 江苏丽源医药有限公司 | 2021-06-18 | — | — | CN | disclosed |