Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SPHK1 | Q9NYA1 | 14/20 | 0.46 |
| ▸ | SPHK2 | Q9NRA0 | 7/20 | 0.41 |
| ▸ | ESR1 | P03372 | 2/20 | 0.39 |
| ▸ | ADRA2A | P08913 | 2/20 | 0.39 |
| ▸ | ADORA3 | P0DMS8 | 2/20 | 0.39 |
| ▸ | TACR2 | P21452 | 2/20 | 0.39 |
| ▸ | SLC6A2 | P23975 | 2/20 | 0.39 |
| ▸ | SLC6A4 | P31645 | 2/20 | 0.39 |
| ▸ | SLC6A3 | Q01959 | 2/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.39 |
| ▸ | LMNA | P02545 | 1/20 | 0.39 |
| ▸ | SHBG | P04278 | 1/20 | 0.39 |
| ▸ | TP53 | P04637 | 1/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.39 |
| ▸ | HSPD1 | P10809 | 1/20 | 0.39 |
| ▸ | ADRB3 | P13945 | 1/20 | 0.39 |
| ▸ | HTR2C | P28335 | 1/20 | 0.39 |
| ▸ | HSPE1 | P61604 | 1/20 | 0.39 |
| ▸ | HIF1A | Q16665 | 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 | |
|---|---|---|---|---|
| SCHEMBL6158197 | 0.80 | SPHK1 (0.35) | SPHK1SPHK2 | |
| SCHEMBL7786693 | 0.80 | SPHK1 (0.39) | SPHK1SPHK2 | |
| SCHEMBL8062253 | 0.80 | SPHK1 (0.39) | SPHK1SPHK2 | |
| SCHEMBL8062250 | 0.80 | SPHK1 (0.39) | SPHK1SPHK2 | |
| SCHEMBL7795034 | 0.79 | TYR (0.36) | KDM4EALDH1A1TP53CYP3A4HSD17B10 | |
| SCHEMBL8459623 | 0.77 | SPHK1 (0.40) | SPHK1ESR1ADRA2AADORA3TACR2 | |
| SCHEMBL7931886 | 0.77 | SPHK1 (0.40) | SPHK1SPHK2ESR1ADRA2AADORA3 | |
| SCHEMBL7793664 | 0.76 | CYP3A4 (0.42) | LMNACYP3A4 | |
| SCHEMBL6156873 | 0.75 | HTR1D (0.31) | SPHK1ALDH1A1 | |
| SCHEMBL6157524 | 0.73 | SPHK1 (0.35) | SPHK1HTR2C |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0946476-B1 | 5,7-DIFLUORO-1,2,3,4-TETRAHYDRONAPHTHALENE DERIVATIVES AND THEIR USE THEREOF IN LIQUID CRYSTAL MIXTURES | AVENTIS RES & TECH GMBH & CO (DE) | 2001-11-21 | — | — | EP | disclosed |
| US-6159392-A | 5,7-difluoro-1,2,3,4-tetrahydronaphthalene derivatives and their use thereof in liquid crystal mixtures | AVENTIS RESEARCH & TECHNOLOGIES GMBH & CO. KG (DE) | 2000-12-12 | — | — | US | disclosed |