Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NQO1 | P15559 | 1/20 | 0.54 |
| ▸ | ESR1 | P03372 | 7/20 | 0.38 |
| ▸ | ESR2 | Q92731 | 6/20 | 0.38 |
| ▸ | ABL1 | P00519 | 1/20 | 0.37 |
| ▸ | ABCB1 | P08183 | 1/20 | 0.37 |
| ▸ | BCR | P11274 | 1/20 | 0.37 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.36 |
| ▸ | BCL2 | P10415 | 1/20 | 0.35 |
| ▸ | MCL1 | Q07820 | 1/20 | 0.35 |
| ▸ | APP | P05067 | 1/20 | 0.35 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.34 |
| ▸ | CA1 | P00915 | 1/20 | 0.33 |
| ▸ | CA2 | P00918 | 1/20 | 0.33 |
| ▸ | CA4 | P22748 | 1/20 | 0.33 |
| ▸ | CA7 | P43166 | 1/20 | 0.33 |
| ▸ | CA9 | Q16790 | 1/20 | 0.33 |
| ▸ | SENP1 | Q9P0U3 | 1/20 | 0.33 |
| ▸ | CD38 | P28907 | 1/20 | 0.32 |
| ▸ | GLO1 | Q04760 | 1/20 | 0.32 |
| ▸ | OR51E2 | Q9H255 | 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 | |
|---|---|---|---|---|
| SCHEMBL5890294 | 0.82 | NQO1 (0.62) | NQO1ESR1ESR2ABL1ABCB1 | |
| SCHEMBL82736 | 0.76 | NQO1 (0.61) | NQO1ESR1ESR2TDP1MCL1 | |
| SCHEMBL28583369 | 0.75 | NQO1 (0.59) | NQO1ESR1ESR2TDP1BCL2 | |
| SCHEMBL84014 | 0.73 | NQO1 (0.45) | NQO1ESR1ESR2ABCB1 | |
| SCHEMBL30818318 | 0.73 | IDO1 (0.44) | — | |
| SCHEMBL28309698 | 0.71 | NQO1 (0.54) | NQO1ESR1ESR2ABL1ABCB1 | |
| SCHEMBL10767233 | 0.71 | CNR1 (0.50) | NQO1ESR1ESR2TDP1BCL2 | |
| SCHEMBL64905 | 0.71 | ESR1 (0.69) | ESR1ESR2ABL1ABCB1BCR | |
| SCHEMBL278516 | 0.71 | NQO1 (1.00) | NQO1ESR1ESR2ABL1ABCB1 | |
| SCHEMBL321298 | 0.69 | NQO1 (0.65) | NQO1ESR1ESR2TDP1BCL2 |
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 |
|---|---|---|---|---|---|---|---|
| US-8129002-B2 | Compounds for use in liquid crystal media | MERCK PATENT GMBH (DE) | 2012-03-06 | — | — | US | disclosed |
| US-7419706-B2 | Liquid crystalline medium | MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) | 2008-09-02 | — | — | US | disclosed |