Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.39 |
| ▸ | CYP11B1 | P15538 | 1/20 | 0.39 |
| ▸ | CYP11B2 | P19099 | 1/20 | 0.39 |
| ▸ | CHRNB2 | P17787 | 2/20 | 0.33 |
| ▸ | CHRNA4 | P43681 | 2/20 | 0.33 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.32 |
| ▸ | CHRNB4 | P30926 | 1/20 | 0.32 |
| ▸ | CHRNA3 | P32297 | 1/20 | 0.32 |
| ▸ | CHRNA7 | P36544 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL30887799 | 1.00 | CYP1A2 (0.39) | CYP1A2CYP11B1CYP11B2CHRNB2CHRNA4 | |
| SCHEMBL30479659 | 0.87 | CYP1A2 (0.39) | CYP1A2CYP11B1CYP11B2CHRNB2CHRNA4 | |
| SCHEMBL5035574 | 0.77 | MTNR1A (0.41) | CYP1A2CYP11B1CYP11B2CHRNB2CHRNA4 | |
| SCHEMBL26620758 | 0.74 | CHRNB2 (0.40) | CYP11B1CYP11B2CHRNB2CHRNA4SIGMAR1 | |
| SCHEMBL31659540 | 0.74 | CHRNB2 (0.36) | CHRNB2CHRNA4SIGMAR1 | |
| SCHEMBL29012624 | 0.70 | GABRP (0.38) | CHRNB2CHRNA4SIGMAR1 | |
| SCHEMBL27010622 | 0.70 | ROCK2 (0.34) | CHRNB2CHRNA4SIGMAR1 | |
| SCHEMBL25343017 | 0.68 | HTR2A (0.31) | — | |
| SCHEMBL25330218 | 0.67 | EPHX2 (0.46) | — | |
| SCHEMBL31244826 | 0.66 | CYP1A2 (0.34) | CYP1A2CYP11B1CYP11B2 |
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-107207532-B | Nitroimidazole derivatives against tuberculosis | 南京明德新药研发股份有限公司 | 2019-07-30 | — | — | CN | disclosed |