Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KCNH2 | Q12809 | 5/20 | 0.44 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.42 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.42 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.42 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.42 |
| ▸ | CNR2 | P34972 | 2/20 | 0.42 |
| ▸ | PKM | P14618 | 2/20 | 0.41 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.41 |
| ▸ | MEN1 | O00255 | 1/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.41 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.40 |
| ▸ | CA12 | O43570 | 1/20 | 0.39 |
| ▸ | CA1 | P00915 | 1/20 | 0.39 |
| ▸ | CA2 | P00918 | 1/20 | 0.39 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL1306535 | 0.88 | CYP1A2 (0.45) | CYP1A2CYP2D6CYP2C9CYP2C19MEN1 | |
| SCHEMBL3107378 | 0.84 | KCNH2 (0.56) | KCNH2CA12CA1CA2SIGMAR1 | |
| SCHEMBL8781469 | 0.80 | CRHBP (0.47) | CYP1A2CYP2D6CYP2C9CYP2C19MEN1 | |
| SCHEMBL513918 | 0.78 | ALDH1A1 (0.54) | CYP1A2CYP2D6CYP2C9CYP2C19MEN1 | |
| Nitrobenzene SCHEMBL28033286 | 0.77 | CYP1A2 (0.59) | KCNH2CYP1A2CYP2D6CYP2C9CYP2C19 | |
| SCHEMBL11382145 | 0.76 | ALDH1A1 (0.46) | KCNH2CA12CA1CA2 | |
| SCHEMBL437110 | 0.76 | ALDH1A1 (0.46) | KCNH2CA12CA1CA2 | |
| Nitric Acid SCHEMBL11127779 | 0.76 | CNR2 (0.47) | KCNH2CNR2PKMKMT2ACA12 | |
| SCHEMBL28103441 | 0.75 | KCNH2 (0.43) | KCNH2MEN1KMT2ANPSR1SMN1; SMN2 | |
| SCHEMBL4611261 | 0.75 | NPC1 (0.46) | KCNH2MEN1KMT2A |
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-105287472-B | Antibacterial agent is used to treat the purposes of epithelial-related disease condition | 西格纳姆生物科学公司 | 2019-04-12 | — | — | CN | disclosed |