Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | LMNA | P02545 | 2/20 | 0.52 |
| ▸ | KCNK3 | O14649 | 1/20 | 0.52 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.43 |
| ▸ | POLB | P06746 | 2/20 | 0.43 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.43 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.43 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.43 |
| ▸ | TSHR | P16473 | 1/20 | 0.43 |
| ▸ | PARP1 | P09874 | 1/20 | 0.40 |
| ▸ | NR1I2 | O75469 | 1/20 | 0.39 |
| ▸ | BCHE | P06276 | 1/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.39 |
| ▸ | GAA | P10253 | 1/20 | 0.38 |
| ▸ | S1PR1 | P21453 | 1/20 | 0.35 |
| ▸ | S1PR3 | Q99500 | 1/20 | 0.35 |
| ▸ | S1PR5 | Q9H228 | 1/20 | 0.35 |
| ▸ | SPHK1 | Q9NYA1 | 1/20 | 0.35 |
| ▸ | HTT | P42858 | 1/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.34 |
| ▸ | SLC6A1 | P30531 | 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 | |
|---|---|---|---|---|
| SCHEMBL20143218 | 1.00 | LMNA (0.52) | LMNAKCNK3SMN1; SMN2POLBCYP3A4 | |
| Hydrochloric Acid SCHEMBL28153235 | 0.98 | LMNA (0.51) | LMNAKCNK3SMN1; SMN2POLBCYP3A4 | |
| SCHEMBL3289131 | 0.95 | LMNA (0.47) | LMNAKCNK3SMN1; SMN2POLBCYP3A4 | |
| SCHEMBL13102174 | 0.95 | LMNA (0.47) | LMNAKCNK3SMN1; SMN2POLBCYP3A4 | |
| SCHEMBL3289140 | 0.95 | LMNA (0.47) | LMNAKCNK3SMN1; SMN2POLBCYP3A4 | |
| Hydrochloric Acid SCHEMBL11337284 | 0.93 | LMNA (0.46) | LMNAKCNK3SMN1; SMN2POLBCYP3A4 | |
| SCHEMBL9044282 | 0.90 | SMN1; SMN2 (0.53) | LMNAKCNK3SMN1; SMN2POLBCYP3A4 | |
| SCHEMBL20143210 | 0.90 | SMN1; SMN2 (0.53) | LMNAKCNK3SMN1; SMN2POLBCYP3A4 | |
| SCHEMBL3231146 | 0.88 | SMN1; SMN2 (0.49) | LMNAKCNK3SMN1; SMN2POLBCYP3A4 | |
| SCHEMBL23374790 | 0.87 | SMN1; SMN2 (0.46) | LMNAKCNK3SMN1; SMN2CYP3A4CYP2D6 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-106928127-A | Substituted piperidine class amide derivatives and preparation method thereof and application pharmaceutically | 四川海思科制药有限公司 | 2017-07-07 | — | — | CN | disclosed |
| CN-106699744-A | Heterocyclic acylamide derivative and preparation method and pharmaceutical application thereof | 四川海思科制药有限公司 | 2017-05-24 | — | — | CN | disclosed |
| CN-106255513-A | Sulfonamide-containing linking systems for drug conjugates | 酵活有限公司 | 2016-12-21 | — | — | CN | disclosed |
| WO-2009044404-A1 | PROCESS FOR THE PREPARATION OF (S)-ROPIVACAINE HYDROCHLORIDE MONOHYDRATE | GOEL RAMNIWAS (IN) | 2009-04-09 | — | — | WO | disclosed |