Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KCNH2 | Q12809 | 1/20 | 0.45 |
| ▸ | HTR2A | P28223 | 2/20 | 0.43 |
| ▸ | ESR1 | P03372 | 2/20 | 0.41 |
| ▸ | ADRA2A | P08913 | 2/20 | 0.41 |
| ▸ | ADORA3 | P0DMS8 | 2/20 | 0.41 |
| ▸ | TACR2 | P21452 | 2/20 | 0.41 |
| ▸ | SLC6A2 | P23975 | 2/20 | 0.41 |
| ▸ | SLC6A4 | P31645 | 2/20 | 0.41 |
| ▸ | SLC6A3 | Q01959 | 2/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.41 |
| ▸ | LMNA | P02545 | 1/20 | 0.41 |
| ▸ | SHBG | P04278 | 1/20 | 0.41 |
| ▸ | TP53 | P04637 | 1/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.41 |
| ▸ | HSPD1 | P10809 | 1/20 | 0.41 |
| ▸ | ADRB3 | P13945 | 1/20 | 0.41 |
| ▸ | HTR2C | P28335 | 1/20 | 0.41 |
| ▸ | HSPE1 | P61604 | 1/20 | 0.41 |
| ▸ | HIF1A | Q16665 | 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 | |
|---|---|---|---|---|
| SCHEMBL16915553 | 0.85 | KCNH2 (0.49) | KCNH2HTR2AESR1ADRA2AADORA3 | |
| SCHEMBL902106 | 0.81 | SPHK1 (0.48) | KCNH2HTR2AESR1ADRA2AADORA3 | |
| SCHEMBL25356499 | 0.79 | KCNH2 (0.39) | KCNH2HTR2ALMNATHRATHRB | |
| SCHEMBL16915555 | 0.76 | THRB (0.48) | KCNH2HTR2AESR1ADRA2AADORA3 | |
| SCHEMBL2723549 | 0.75 | CYSLTR2 (0.42) | KCNH2ESR1ADRA2AADORA3TACR2 | |
| SCHEMBL901587 | 0.73 | CYSLTR2 (0.48) | KCNH2HTR2AESR1ADRA2AADORA3 | |
| SCHEMBL28544650 | 0.73 | CYSLTR2 (0.51) | ALDH1A1CYSLTR2CYSLTR1THRATHRB | |
| SCHEMBL28400146 | 0.71 | ESR1 (0.59) | HTR2AESR1ADRA2AADORA3TACR2 | |
| SCHEMBL26660483 | 0.71 | ESR1 (0.59) | HTR2AESR1ADRA2AADORA3TACR2 | |
| SCHEMBL11141986 | 0.71 | ESR1 (0.59) | HTR2AESR1ADRA2AADORA3TACR2 |
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 |
|---|---|---|---|---|---|---|---|
| EP-3092222-A1 | IMPROVED FINGOLIMOD PROCESS | Emcure Pharmaceuticals Limited (IN) | 2016-11-16 | — | — | EP | disclosed |
| WO-2015107548-A1 | IMPROVED FINGOLIMOD PROCESS | EMCURE PHARMACEUTICALS LIMITED (IN) | 2015-07-23 | — | — | WO | disclosed |
| EP-2632889-A2 | INTERMEDIATE COMPOUNDS AND PROCESS FOR THE PREPARATION OF FINGOLIMOD | Mapi Pharma Limited (IL) | 2013-09-04 | — | — | EP | disclosed |
| WO-2012056458-A2 | INTERMEDIATE COMPOUNDS AND PROCESS FOR THE PREPARATION OF FINGOLIMOD | MAPI PHARMA LTD. (IL) | 2012-05-03 | — | — | WO | disclosed |