Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SCN4A | P35499 | 9/20 | 0.49 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.46 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.46 |
| ▸ | PKM | P14618 | 1/20 | 0.46 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.46 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.46 |
| ▸ | TACR1 | P25103 | 3/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.42 |
| ▸ | MMP8 | P22894 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL19275401 | 0.84 | CA12 (0.50) | CYP1A2CYP2D6PKMSMN1; SMN2NPSR1 | |
| SCHEMBL27425651 | 0.83 | CYP1A2 (0.42) | CYP1A2SMN1; SMN2NPSR1KMT2A | |
| SCHEMBL27425650 | 0.83 | CYP1A2 (0.42) | CYP1A2SMN1; SMN2NPSR1KMT2A | |
| SCHEMBL27618919 | 0.83 | TLR2 (0.53) | CYP2D6KMT2A | |
| SCHEMBL22502128 | 0.82 | SCN4A (0.52) | SCN4ACYP1A2CYP2D6PKMSMN1; SMN2 | |
| SCHEMBL17177519 | 0.82 | SCN4A (0.52) | SCN4ACYP1A2CYP2D6PKMSMN1; SMN2 | |
| SCHEMBL7100081 | 0.82 | SCN4A (0.52) | SCN4ACYP1A2CYP2D6PKMSMN1; SMN2 | |
| SCHEMBL27395166 | 0.82 | LMNA (0.43) | SMN1; SMN2 | |
| Hydrochloric Acid SCHEMBL19305407 | 0.81 | SCN4A (0.50) | SCN4ACYP1A2CYP2D6PKMSMN1; SMN2 | |
| SCHEMBL4352840 | 0.81 | LMNA (0.52) | CYP1A2CYP2D6PKMSMN1; SMN2NPSR1 |
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-108794358-A | Substitution benzenesulfonyl class compound and its purposes for preparing drug | 中国人民解放军第二军医大学 | 2018-11-13 | — | — | CN | disclosed |
| CN-101790516-A | Novel substituted piperidones as hsp inducers | TORRENT PHARMACEUTICALS LTD | 2010-07-28 | — | — | CN | disclosed |
| CN-1711239-A | Novel biaromatic compounds which activate PPARy type receptors and cosmetic/pharmaceutical compositions comprised thereof | GALDERMA RES & DEV (FR) | 2005-12-21 | — | — | CN | disclosed |