Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 2/20 | 0.39 |
| ▸ | CACNA1B | Q00975 | 5/20 | 0.39 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.36 |
| ▸ | KLF10 | Q13118 | 1/20 | 0.36 |
| ▸ | LMNA | P02545 | 3/20 | 0.33 |
| ▸ | ESR1 | P03372 | 2/20 | 0.33 |
| ▸ | ESR2 | Q92731 | 2/20 | 0.33 |
| ▸ | NPC1 | O15118 | 1/20 | 0.33 |
| ▸ | RAB9A | P51151 | 1/20 | 0.33 |
| ▸ | BACE1 | P56817 | 1/20 | 0.33 |
| ▸ | MEN1 | O00255 | 1/20 | 0.32 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.32 |
| ▸ | ALOX5AP | P20292 | 1/20 | 0.32 |
| ▸ | GAA | P10253 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL12843999 | 1.00 | TSHR (0.39) | TSHRCACNA1BCYP2D6KLF10LMNA | |
| SCHEMBL13900943 | 0.82 | TSHR (0.39) | TSHRCACNA1BCYP2D6KLF10LMNA | |
| SCHEMBL29565 | 0.80 | CYP3A4 (0.51) | TSHRCACNA1BCYP2D6KLF10LMNA | |
| SCHEMBL21901400 | 0.79 | ESR1 (0.44) | TSHRCACNA1BCYP2D6KLF10LMNA | |
| SCHEMBL10292364 | 0.76 | LMNA (0.53) | TSHRCACNA1BLMNANPC1RAB9A | |
| SCHEMBL11466945 | 0.74 | LMNA (0.55) | TSHRLMNANPC1RAB9AMEN1 | |
| SCHEMBL4241617 | 0.70 | NPC1 (0.55) | LMNAESR1ESR2NPC1RAB9A | |
| SCHEMBL27501139 | 0.70 | KCNMA1 (0.53) | TSHRCYP2D6LMNANPC1RAB9A | |
| SCHEMBL21924988 | 0.68 | CYP3A4 (0.41) | TSHRCACNA1BCYP2D6LMNAESR1 | |
| SCHEMBL29939674 | 0.68 | TRPA1 (0.37) | TSHRLMNANPC1RAB9ABACE1 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2017001036-A1 | PROCESS FOR THE STABILISATION OF LIGUID CRYSTAL MEDIA | MERCK PATENT GMBH (DE) | 2017-01-05 | — | — | WO | disclosed |
| WO-2015180819-A1 | POLYMERISABLE COMPOUNDS AND THE USE THEREOF IN LIQUID-CRYSTAL DISPLAYS | MERCK PATENT GMBH (DE) | 2015-12-03 | — | — | WO | disclosed |