Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | LPL | P06858 | 6/20 | 0.49 |
| ▸ | LIPG | Q9Y5X9 | 6/20 | 0.49 |
| ▸ | MGLL | Q99685 | 2/20 | 0.47 |
| ▸ | TRPV1 | Q8NER1 | 1/20 | 0.47 |
| ▸ | CA1 | P00915 | 1/20 | 0.42 |
| ▸ | CA2 | P00918 | 1/20 | 0.42 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.40 |
| ▸ | LMNA | P02545 | 1/20 | 0.40 |
| ▸ | ESR1 | P03372 | 1/20 | 0.40 |
| ▸ | SHBG | P04278 | 1/20 | 0.40 |
| ▸ | TP53 | P04637 | 1/20 | 0.40 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.40 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.40 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.40 |
| ▸ | HSPD1 | P10809 | 1/20 | 0.40 |
| ▸ | ADRB3 | P13945 | 1/20 | 0.40 |
| ▸ | TACR2 | P21452 | 1/20 | 0.40 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.40 |
| ▸ | HTR2C | P28335 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL20126465 | 0.89 | MGLL (0.50) | LPLLIPGMGLL | |
| SCHEMBL12269065 | 0.87 | LPL (0.50) | LPLLIPGMGLLTRPV1 | |
| SCHEMBL15981424 | 0.80 | MGLL (0.50) | MGLLKDM4EALDH1A1LMNATP53 | |
| SCHEMBL15985391 | 0.79 | MGLL (0.46) | MGLLKDM4EALDH1A1LMNATP53 | |
| SCHEMBL17676144 | 0.77 | TNNC1 (0.40) | KDM4EALDH1A1LMNAESR1SHBG | |
| SCHEMBL14756913 | 0.75 | KDM4E (0.50) | MGLLKDM4EALDH1A1LMNAHIF1A | |
| SCHEMBL29952719 | 0.74 | MGLL (0.58) | MGLLESR1 | |
| SCHEMBL7736179 | 0.73 | ESR1 (0.45) | KDM4EALDH1A1LMNAESR1SHBG | |
| SCHEMBL29955924 | 0.72 | LPL (0.69) | LPLLIPGMGLLTRPV1CA1 | |
| SCHEMBL18067915 | 0.72 | SKP2 (0.41) | — |
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 |
|---|---|---|---|---|---|---|---|
| US-20180127652-A1 | LIQUID CRYSTAL COMPOUND HAVING BENZOTHIOPHENE, LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY DEVICE | JNC CORPORATION (JP) | 2018-05-10 | — | — | US | disclosed |