Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.46 |
| ▸ | LMNA | P02545 | 3/20 | 0.46 |
| ▸ | TP53 | P04637 | 1/20 | 0.46 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.46 |
| ▸ | TSHR | P16473 | 1/20 | 0.46 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.46 |
| ▸ | NFE2L2 | Q16236 | 2/20 | 0.42 |
| ▸ | TYR | P14679 | 1/20 | 0.42 |
| ▸ | TUBB1 | Q9H4B7 | 4/20 | 0.41 |
| ▸ | MAPT | P10636 | 3/20 | 0.41 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.41 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.41 |
| ▸ | POLB | P06746 | 1/20 | 0.38 |
| ▸ | HTT | P42858 | 2/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.38 |
| ▸ | HPGD | P15428 | 2/20 | 0.38 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.38 |
| ▸ | ATM | Q13315 | 1/20 | 0.37 |
| ▸ | TUBB4A | P04350 | 1/20 | 0.37 |
| ▸ | TUBB | P07437 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL18134248 | 1.00 | ALDH1A1 (0.46) | ALDH1A1LMNATP53CYP3A4TSHR | |
| SCHEMBL10302914 | 0.84 | NFE2L2 (0.46) | LMNANFE2L2TUBB1MAPTTUBB4A | |
| SCHEMBL15722954 | 0.84 | ALDH1A1 (0.36) | ALDH1A1LMNATP53CYP3A4TSHR | |
| SCHEMBL23870623 | 0.84 | TUBB1 (0.39) | ALDH1A1LMNATP53CYP3A4TSHR | |
| SCHEMBL15681342 | 0.82 | TRPA1 (0.41) | ALDH1A1NFE2L2TUBB1TUBB4ATUBB | |
| SCHEMBL18221304 | 0.81 | NFE2L2 (0.38) | KDM4ENFE2L2TUBB1TUBB4ATUBB | |
| SCHEMBL12719016 | 0.80 | CYP1A1 (0.52) | NFE2L2TUBB1TUBB4ATUBBTUBA3C | |
| SCHEMBL12716243 | 0.80 | CYP1A1 (0.52) | NFE2L2TUBB1TUBB4ATUBBTUBA3C | |
| SCHEMBL20179411 | 0.80 | NFE2L2 (0.48) | ALDH1A1LMNATP53CYP3A4TSHR | |
| SCHEMBL27779575 | 0.79 | LMNA (0.47) | ALDH1A1LMNATP53CYP3A4TSHR |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-9737854-B2 | Process for the purification of a liquid-crystal mixture | MERCK PATENT GMBH (DE) | 2017-08-22 | — | — | US | disclosed |
| US-20160325231-A1 | PROCESS FOR THE PURIFICATION OF A LIQUID-CRYSTAL MIXTURE | MERCK PATENT GMBH (DE) | 2016-11-10 | — | — | US | disclosed |
| US-20160272346-A1 | FILLING DEVICE AND USE THEREOF FOR DISPENSING A FLUID | MERCK PATENT GMBH (DE) | 2016-09-22 | — | — | US | disclosed |