Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 2/20 | 0.77 |
| ▸ | ESR2 | Q92731 | 13/20 | 0.68 |
| ▸ | ESR1 | P03372 | 12/20 | 0.68 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.68 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.68 |
| ▸ | TSHR | P16473 | 1/20 | 0.68 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.68 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.68 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.68 |
| ▸ | ABL1 | P00519 | 1/20 | 0.62 |
| ▸ | ABCB1 | P08183 | 1/20 | 0.62 |
| ▸ | BCR | P11274 | 1/20 | 0.62 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.59 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.59 |
| ▸ | HSD17B1 | P14061 | 1/20 | 0.59 |
| ▸ | CYP2B6 | P20813 | 1/20 | 0.59 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.59 |
| ▸ | HSD17B2 | P37059 | 1/20 | 0.59 |
| ▸ | F12 | P00748 | 1/20 | 0.56 |
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 | |
|---|---|---|---|---|
| SCHEMBL69484 | 1.00 | CYP1A2 (0.77) | CYP1A2ESR2ESR1CYP3A4ALOX15 | |
| SCHEMBL29364786 | 1.00 | CYP1A2 (0.77) | CYP1A2ESR2ESR1CYP3A4ALOX15 | |
| Hydroquinone SCHEMBL6689552 | 0.96 | ESR2 (0.74) | CYP1A2ESR2ESR1CYP3A4ALOX15 | |
| SCHEMBL27845395 | 0.96 | CYP1A2 (0.72) | CYP1A2ESR2ESR1CYP3A4ALOX15 | |
| SCHEMBL29405718 | 0.93 | CYP1A2 (0.68) | CYP1A2ESR2ESR1CYP3A4ALOX15 | |
| SCHEMBL392290 | 0.93 | CYP1A2 (0.68) | CYP1A2ESR2ESR1CYP3A4ALOX15 | |
| SCHEMBL755928 | 0.93 | CYP1A2 (0.68) | CYP1A2ESR2ESR1CYP3A4ALOX15 | |
| SCHEMBL29973107 | 0.93 | CYP1A2 (0.68) | CYP1A2ESR2ESR1CYP3A4ALOX15 | |
| SCHEMBL3451975 | 0.93 | CYP1A2 (0.78) | CYP1A2ESR2ESR1CYP3A4ALOX15 | |
| Hydrochloric Acid SCHEMBL31543607 | 0.90 | CYP1A2 (0.65) | CYP1A2ESR2ESR1CYP3A4ALOX15 |
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-8114310-B2 | Liquid-crystal display | MERCK PATENT GMBH (DE) | 2012-02-14 | — | — | US | disclosed |
| US-7731865-B2 | Liquid-crystal medium | MERCK PATENT GMBH (DE) | 2010-06-08 | — | — | US | disclosed |
| US-20090103011-A1 | LIQUID-CRYSTAL MEDIUM | MERCK PATENT GESELLSCHAFT (DE) | 2009-04-23 | — | — | US | disclosed |